data_AlCoOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   4.24
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCoOs2
_chemical_formula_sum   'Al1 Co1 Os2'
_cell_volume   53.98
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Al  Al0  1  0.0  0.0  0.0  1.0
  Co  Co3  1  0.5  0.5  0.5  1.0
  Os  Os1  1  0.5  0.5  0.5  1.0
  Os  Os2  1  1.0  1.0  1.0  1.0

data_AlCoOs2
_symmetry_space_group_name_H-M   Fm-3m
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   6.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   225
_chemical_formula_structural   AlCoOs2
_chemical_formula_sum   'Al4 Co4 Os8'
_cell_volume   215.93
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-y, x, z'
  4  'y, -x, -z'
  5  '-x, -y, z'
  6  'x, y, -z'
  7  'y, -x, z'
  8  '-y, x, -z'
  9  'x, -y, -z'
  10  '-x, y, z'
  11  '-y, -x, -z'
  12  'y, x, z'
  13  '-x, y, -z'
  14  'x, -y, z'
  15  'y, x, -z'
  16  '-y, -x, z'
  17  'z, x, y'
  18  '-z, -x, -y'
  19  'z, -y, x'
  20  '-z, y, -x'
  21  'z, -x, -y'
  22  '-z, x, y'
  23  'z, y, -x'
  24  '-z, -y, x'
  25  '-z, x, -y'
  26  'z, -x, y'
  27  '-z, -y, -x'
  28  'z, y, x'
  29  '-z, -x, y'
  30  'z, x, -y'
  31  '-z, y, x'
  32  'z, -y, -x'
  33  'y, z, x'
  34  '-y, -z, -x'
  35  'x, z, -y'
  36  '-x, -z, y'
  37  '-y, z, -x'
  38  'y, -z, x'
  39  '-x, z, y'
  40  'x, -z, -y'
  41  '-y, -z, x'
  42  'y, z, -x'
  43  '-x, -z, -y'
  44  'x, z, y'
  45  'y, -z, -x'
  46  '-y, z, x'
  47  'x, -z, y'
  48  '-x, z, -y'
  49  'x+1/2, y+1/2, z'
  50  '-x+1/2, -y+1/2, -z'
  51  '-y+1/2, x+1/2, z'
  52  'y+1/2, -x+1/2, -z'
  53  '-x+1/2, -y+1/2, z'
  54  'x+1/2, y+1/2, -z'
  55  'y+1/2, -x+1/2, z'
  56  '-y+1/2, x+1/2, -z'
  57  'x+1/2, -y+1/2, -z'
  58  '-x+1/2, y+1/2, z'
  59  '-y+1/2, -x+1/2, -z'
  60  'y+1/2, x+1/2, z'
  61  '-x+1/2, y+1/2, -z'
  62  'x+1/2, -y+1/2, z'
  63  'y+1/2, x+1/2, -z'
  64  '-y+1/2, -x+1/2, z'
  65  'z+1/2, x+1/2, y'
  66  '-z+1/2, -x+1/2, -y'
  67  'z+1/2, -y+1/2, x'
  68  '-z+1/2, y+1/2, -x'
  69  'z+1/2, -x+1/2, -y'
  70  '-z+1/2, x+1/2, y'
  71  'z+1/2, y+1/2, -x'
  72  '-z+1/2, -y+1/2, x'
  73  '-z+1/2, x+1/2, -y'
  74  'z+1/2, -x+1/2, y'
  75  '-z+1/2, -y+1/2, -x'
  76  'z+1/2, y+1/2, x'
  77  '-z+1/2, -x+1/2, y'
  78  'z+1/2, x+1/2, -y'
  79  '-z+1/2, y+1/2, x'
  80  'z+1/2, -y+1/2, -x'
  81  'y+1/2, z+1/2, x'
  82  '-y+1/2, -z+1/2, -x'
  83  'x+1/2, z+1/2, -y'
  84  '-x+1/2, -z+1/2, y'
  85  '-y+1/2, z+1/2, -x'
  86  'y+1/2, -z+1/2, x'
  87  '-x+1/2, z+1/2, y'
  88  'x+1/2, -z+1/2, -y'
  89  '-y+1/2, -z+1/2, x'
  90  'y+1/2, z+1/2, -x'
  91  '-x+1/2, -z+1/2, -y'
  92  'x+1/2, z+1/2, y'
  93  'y+1/2, -z+1/2, -x'
  94  '-y+1/2, z+1/2, x'
  95  'x+1/2, -z+1/2, y'
  96  '-x+1/2, z+1/2, -y'
  97  'x+1/2, y, z+1/2'
  98  '-x+1/2, -y, -z+1/2'
  99  '-y+1/2, x, z+1/2'
  100  'y+1/2, -x, -z+1/2'
  101  '-x+1/2, -y, z+1/2'
  102  'x+1/2, y, -z+1/2'
  103  'y+1/2, -x, z+1/2'
  104  '-y+1/2, x, -z+1/2'
  105  'x+1/2, -y, -z+1/2'
  106  '-x+1/2, y, z+1/2'
  107  '-y+1/2, -x, -z+1/2'
  108  'y+1/2, x, z+1/2'
  109  '-x+1/2, y, -z+1/2'
  110  'x+1/2, -y, z+1/2'
  111  'y+1/2, x, -z+1/2'
  112  '-y+1/2, -x, z+1/2'
  113  'z+1/2, x, y+1/2'
  114  '-z+1/2, -x, -y+1/2'
  115  'z+1/2, -y, x+1/2'
  116  '-z+1/2, y, -x+1/2'
  117  'z+1/2, -x, -y+1/2'
  118  '-z+1/2, x, y+1/2'
  119  'z+1/2, y, -x+1/2'
  120  '-z+1/2, -y, x+1/2'
  121  '-z+1/2, x, -y+1/2'
  122  'z+1/2, -x, y+1/2'
  123  '-z+1/2, -y, -x+1/2'
  124  'z+1/2, y, x+1/2'
  125  '-z+1/2, -x, y+1/2'
  126  'z+1/2, x, -y+1/2'
  127  '-z+1/2, y, x+1/2'
  128  'z+1/2, -y, -x+1/2'
  129  'y+1/2, z, x+1/2'
  130  '-y+1/2, -z, -x+1/2'
  131  'x+1/2, z, -y+1/2'
  132  '-x+1/2, -z, y+1/2'
  133  '-y+1/2, z, -x+1/2'
  134  'y+1/2, -z, x+1/2'
  135  '-x+1/2, z, y+1/2'
  136  'x+1/2, -z, -y+1/2'
  137  '-y+1/2, -z, x+1/2'
  138  'y+1/2, z, -x+1/2'
  139  '-x+1/2, -z, -y+1/2'
  140  'x+1/2, z, y+1/2'
  141  'y+1/2, -z, -x+1/2'
  142  '-y+1/2, z, x+1/2'
  143  'x+1/2, -z, y+1/2'
  144  '-x+1/2, z, -y+1/2'
  145  'x, y+1/2, z+1/2'
  146  '-x, -y+1/2, -z+1/2'
  147  '-y, x+1/2, z+1/2'
  148  'y, -x+1/2, -z+1/2'
  149  '-x, -y+1/2, z+1/2'
  150  'x, y+1/2, -z+1/2'
  151  'y, -x+1/2, z+1/2'
  152  '-y, x+1/2, -z+1/2'
  153  'x, -y+1/2, -z+1/2'
  154  '-x, y+1/2, z+1/2'
  155  '-y, -x+1/2, -z+1/2'
  156  'y, x+1/2, z+1/2'
  157  '-x, y+1/2, -z+1/2'
  158  'x, -y+1/2, z+1/2'
  159  'y, x+1/2, -z+1/2'
  160  '-y, -x+1/2, z+1/2'
  161  'z, x+1/2, y+1/2'
  162  '-z, -x+1/2, -y+1/2'
  163  'z, -y+1/2, x+1/2'
  164  '-z, y+1/2, -x+1/2'
  165  'z, -x+1/2, -y+1/2'
  166  '-z, x+1/2, y+1/2'
  167  'z, y+1/2, -x+1/2'
  168  '-z, -y+1/2, x+1/2'
  169  '-z, x+1/2, -y+1/2'
  170  'z, -x+1/2, y+1/2'
  171  '-z, -y+1/2, -x+1/2'
  172  'z, y+1/2, x+1/2'
  173  '-z, -x+1/2, y+1/2'
  174  'z, x+1/2, -y+1/2'
  175  '-z, y+1/2, x+1/2'
  176  'z, -y+1/2, -x+1/2'
  177  'y, z+1/2, x+1/2'
  178  '-y, -z+1/2, -x+1/2'
  179  'x, z+1/2, -y+1/2'
  180  '-x, -z+1/2, y+1/2'
  181  '-y, z+1/2, -x+1/2'
  182  'y, -z+1/2, x+1/2'
  183  '-x, z+1/2, y+1/2'
  184  'x, -z+1/2, -y+1/2'
  185  '-y, -z+1/2, x+1/2'
  186  'y, z+1/2, -x+1/2'
  187  '-x, -z+1/2, -y+1/2'
  188  'x, z+1/2, y+1/2'
  189  'y, -z+1/2, -x+1/2'
  190  '-y, z+1/2, x+1/2'
  191  'x, -z+1/2, y+1/2'
  192  '-x, z+1/2, -y+1/2'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Al  Al0  4  0.0  0.0  0.0  1.0
  Co  Co1  4  0.0  0.0  0.5  1.0
  Os  Os2  4  0.0  0.0  0.0  1.0
  Os  Os3  4  0.0  0.0  0.5  1.0

Os2CoAl crystallizes in the cubic Fm-3m space group. There are eight inequivalent Os sites. In the first Os site, Os(1) is bonded to four Os(2,2,2) and five Al(1,1,1) atoms to form distorted OsAl5Os4 octahedra that share corners with three Os(1,1)Al5Os4 octahedra; corners with six Co(1,1)Al3Os6 octahedra; edges with four Co(1,1,1)Al3Os6 octahedra; edges with twelve Os(1,1,1,1)Al5Os4 octahedra;  a faceface with one Os(1)Al6Os5 octahedra; and faces with eight Co(1,1,1,1)Al3Os6 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. All Os(1)-Os(2,2,2) bond lengths are 3.00 Å. All Os(1)-Al(1,1,1) bond lengths are 3.00 Å. In the second Os site, Os(2) is bonded to three Os(1,1) and six Co(1,1,1) atoms to form OsCo6Os3 octahedra that share corners with four equivalent Os(2)Co6Os3 octahedra; corners with five Al(1,1)Co3Os6 octahedra; edges with six Al(1,1,1,1)Co5Os5 octahedra; edges with seven Os(2,2,2)Co6Os3 octahedra; faces with six Al(1,1,1,1)Co5Os5 octahedra; and faces with seven Os(2,2,2)Co5Os3 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. The Os(2)-Os(1) bond length is 3.00 Å. All Os(2)-Co(1,1,1) bond lengths are 3.00 Å. In the third Os site, Os(1) is bonded to two Os(2,2) and five Al(1,1,1) atoms to form distorted OsAl5Os2 octahedra that share corners with five Os(1,1)Al5Os4 octahedra; corners with eight Co(1,1,1)Al3Os6 octahedra; edges with five Co(1,1,1)Al5Os6 octahedra; edges with nine Os(1,1,1)Al5Os4 octahedra; faces with two Os(1,1)Al4Os4 octahedra; and faces with two Co(1,1)Al5Os6 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. Both Os(1)-Os(2,2) bond lengths are 3.00 Å. All Os(1)-Al(1,1,1) bond lengths are 3.00 Å. In the fourth Os site, Os(2) is bonded to three Os(1,1,1) and five Co(1,1,1) atoms to form OsCo5Os3 octahedra that share corners with five Os(2,2)Co5Os3 octahedra; corners with eight Al(1,1,1,1)Co5Os5 octahedra; edges with six Al(1,1,1,1)Co5Os5 octahedra; edges with seven Os(2,2,2)Co6Os3 octahedra; faces with four Os(2,2,2)Co6Os3 octahedra; and faces with four Al(1,1,1,1)Co5Os5 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. The Os(2)-Os(1) bond length is 3.00 Å. All Os(2)-Co(1,1,1) bond lengths are 3.00 Å. In the fifth Os site, Os(1) is bonded to four Os(2,2,2) and four Al(1,1) atoms to form distorted OsAl4Os4 octahedra that share corners with six equivalent Os(1)Al4Os4 octahedra; corners with six Co(1,1,1,1)Al3Os6 octahedra; edges with eight Co(1,1,1,1)Al3Os6 octahedra; edges with nine Os(1,1,1)Al5Os4 octahedra; faces with three Os(1,1)Al5Os2 octahedra; and faces with three Co(1,1)Al5Os6 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. All Os(1)-Os(2,2) bond lengths are 3.00 Å. All Os(1)-Al(1,1) bond lengths are 3.00 Å. In the sixth Os site, Os(2) is bonded to five Os(1,1,1) and six Co(1,1,1) atoms to form OsCo6Os5 octahedra that share corners with two equivalent Os(2)Co6Os5 octahedra; corners with seven Al(1,1)Co3Os6 octahedra; edges with three Al(1,1,1)Co5Os5 octahedra; edges with eight Os(2,2,2)Co5Os3 octahedra; faces with eight Os(2,2,2)Co6Os3 octahedra; and faces with nine Al(1,1,1,1)Co5Os5 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. Both Os(2)-Os(1) bond lengths are 3.00 Å. All Os(2)-Co(1,1,1) bond lengths are 3.00 Å. In the seventh Os site, Os(1) is bonded to five Os(2,2,2) and six Al(1,1,1) atoms to form distorted OsAl6Os5 octahedra that share corners with two equivalent Os(1)Al6Os5 octahedra; corners with five equivalent Co(1)Al3Os4 octahedra; edges with four Co(1,1,1)Al3Os6 octahedra; edges with twelve Os(1,1,1,1)Al5Os4 octahedra; faces with four Os(1,1,1)Al5Os4 octahedra; and faces with ten Co(1,1,1,1)Al3Os6 octahedra. The corner-sharing octahedra are not tilted. Both Os(1)-Os(2) bond lengths are 3.00 Å. All Os(1)-Al(1,1,1) bond lengths are 3.00 Å. In the eighth Os site, Os(2) is bonded to four Os(1,1,1) and five Co(1,1,1) atoms to form OsCo5Os4 octahedra that share corners with two Al(1,1)Co3Os6 octahedra; corners with seven Os(2,2)Co5Os3 octahedra; edges with six Os(2,2,2)Co6Os3 octahedra; edges with nine Al(1,1,1,1)Co5Os5 octahedra; faces with five Os(2,2,2)Co6Os3 octahedra; and faces with six Al(1,1,1)Co5Os5 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. All Os(2)-Co(1,1,1) bond lengths are 3.00 Å. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to six Os(2,2,2) and three Al(1,1) atoms to form CoAl3Os6 octahedra that share corners with five Co(1,1)Al3Os6 octahedra; corners with nine Os(1,1,1)Al5Os4 octahedra; edges with four Os(1,1,1)Al5Os4 octahedra; edges with six Co(1,1,1)Al3Os6 octahedra; faces with four Os(1,1)Al5Os4 octahedra; and faces with seven Co(1,1,1)Al5Os6 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. All Co(1)-Al(1,1) bond lengths are 3.00 Å. In the second Co site, Co(1) is bonded to six Os(2,2,2) and five Al(1,1,1) atoms to form CoAl5Os6 octahedra that share corners with two equivalent Co(1)Al5Os6 octahedra; corners with five Os(1,1)Al5Os2 octahedra; edges with four Os(1,1,1)Al5Os2 octahedra; edges with ten Co(1,1,1,1)Al3Os6 octahedra; faces with six Co(1,1,1)Al3Os6 octahedra; and faces with nine Os(1,1,1,1)Al5Os4 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. All Co(1)-Al(1,1,1) bond lengths are 3.00 Å. In the third Co site, Co(1) is bonded to six Os(2,2,2) and four Al(1,1,1) atoms to form CoAl4Os6 octahedra that share corners with three Os(1,1)Al5Os2 octahedra; corners with five Co(1,1)Al4Os6 octahedra; edges with five Os(1,1,1)Al5Os4 octahedra; edges with six Co(1,1,1)Al5Os6 octahedra; faces with seven Co(1,1)Al3Os6 octahedra; and faces with eight Os(1,1,1,1)Al5Os4 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. All Co(1)-Al(1,1,1) bond lengths are 3.00 Å. In the fourth Co site, Co(1) is bonded to four Os(2,2,2) and three Al(1,1) atoms to form CoAl3Os4 octahedra that share corners with six Co(1,1,1)Al3Os6 octahedra; corners with eight Os(1,1,1)Al5Os4 octahedra; edges with eight Os(1,1,1,1)Al5Os4 octahedra; edges with eight Co(1,1,1)Al3Os6 octahedra; faces with two Os(1,1)Al5Os4 octahedra; and faces with two Co(1,1)Al3Os6 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. All Co(1)-Al(1,1) bond lengths are 3.00 Å. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded to five Os(1,1,1) and five Co(1,1,1) atoms to form AlCo5Os5 octahedra that share corners with three equivalent Os(2)Co5Os3 octahedra; corners with six Al(1,1,1)Co5Os5 octahedra; edges with six Os(2,2,2,2)Co6Os3 octahedra; edges with seven Al(1,1,1,1)Co5Os5 octahedra; faces with five Al(1,1,1)Co3Os6 octahedra; and faces with nine Os(2,2,2,2)Co6Os3 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. In the second Al site, Al(1) is bonded to six Os(1,1,1) and three Co(1,1) atoms to form AlCo3Os6 octahedra that share corners with eight Os(2,2,2,2)Co6Os3 octahedra; corners with eight Al(1,1)Co3Os6 octahedra; edges with four Os(2,2,2)Co6Os3 octahedra; edges with five Al(1,1,1)Co5Os5 octahedra; faces with five Al(1,1)Co5Os5 octahedra; and faces with six Os(2,2,2,2)Co6Os3 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. In the third Al site, Al(1) is bonded to six Os(1,1,1) and three Co(1,1,1) atoms to form AlCo3Os6 octahedra that share corners with four Os(2,2,2)Co6Os3 octahedra; corners with nine Al(1,1,1)Co5Os5 octahedra; edges with four Al(1,1,1)Co5Os5 octahedra; edges with six Os(2,2,2,2)Co6Os3 octahedra; faces with five Al(1,1)Co5Os5 octahedra; and faces with six Os(2,2,2,2)Co6Os3 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. In the fourth Al site, Al(1) is bonded to three Os(1,1) and four Co(1,1) atoms to form AlCo4Os3 octahedra that share corners with seven Os(2,2)Co5Os3 octahedra; corners with thirteen Al(1,1,1,1)Co5Os5 octahedra; edges with four Al(1,1)Co5Os5 octahedra; edges with eight Os(2,2,2,2)Co6Os3 octahedra;  a faceface with one Al(1)Co5Os5 octahedra; and faces with four Os(2,2,2)Co6Os3 octahedra. The corner-sharing octahedral tilt angles range from 0-90°.