data_Co12W17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.07
_cell_length_b   8.07
_cell_length_c   8.07
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co12W17
_chemical_formula_sum   'Co12 W17'
_cell_volume   405.29
_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
  Co  Co0  1  0.82  0.92  0.82  1.0
  Co  Co1  1  0.84  0.58  0.84  1.0
  Co  Co2  1  0.16  0.74  0.84  1.0
  Co  Co3  1  0.84  0.74  0.16  1.0
  Co  Co4  1  0.16  0.84  0.74  1.0
  Co  Co5  1  0.84  0.16  0.74  1.0
  Co  Co6  1  0.84  0.84  0.58  1.0
  Co  Co7  1  0.82  0.82  0.92  1.0
  Co  Co8  1  0.74  0.84  0.16  1.0
  Co  Co9  1  0.74  0.16  0.84  1.0
  Co  Co10  1  0.92  0.82  0.82  1.0
  Co  Co11  1  0.58  0.84  0.84  1.0
  W  W12  1  0.33  0.04  0.33  1.0
  W  W13  1  0.33  0.38  0.33  1.0
  W  W14  1  0.33  0.28  0.67  1.0
  W  W15  1  0.67  0.28  0.33  1.0
  W  W16  1  0.33  0.67  0.28  1.0
  W  W17  1  0.67  0.33  0.28  1.0
  W  W18  1  0.33  0.33  0.38  1.0
  W  W19  1  0.33  0.33  0.04  1.0
  W  W20  1  0.28  0.67  0.33  1.0
  W  W21  1  0.28  0.33  0.67  1.0
  W  W22  1  0.04  0.33  0.33  1.0
  W  W23  1  0.38  0.33  0.33  1.0
  W  W24  1  0.63  0.37  0.63  1.0
  W  W25  1  0.03  0.03  0.03  1.0
  W  W26  1  0.63  0.63  0.37  1.0
  W  W27  1  0.37  0.63  0.63  1.0
  W  W28  1  0.0  0.0  0.0  1.0

data_Co12W17
_symmetry_space_group_name_H-M   R3m
_cell_length_a   13.19
_cell_length_b   13.19
_cell_length_c   8.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Co12W17
_chemical_formula_sum   'Co36 W51'
_cell_volume   1215.86
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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
  Co  Co0  18  0.16  0.43  0.58  1.0
  Co  Co1  9  0.07  0.03  0.85  1.0
  Co  Co2  9  0.09  0.18  0.76  1.0
  W  W3  18  0.19  0.43  0.09  1.0
  W  W4  9  0.03  0.02  0.35  1.0
  W  W5  9  0.09  0.91  0.54  1.0
  W  W6  9  0.1  0.9  0.24  1.0
  W  W7  3  0.0  0.0  0.0  1.0
  W  W8  3  0.0  0.0  0.03  1.0

Co Co Co Co Co Co Co Co Co Co Co Co W W W W W W W W W W W W W W W W W
W17Co12 crystallizes in the trigonal R3m space group. There are six inequivalent W sites. In the first W site, W(1) is bonded in a 10-coordinate geometry to one W(4), one W(5), two equivalent W(2), four equivalent W(3), and two equivalent Co(3) atoms. The W(1)-W(4) bond length is 2.50 Å. The W(1)-W(5) bond length is 2.78 Å. Both W(1)-W(2) bond lengths are 2.24 Å. There are two shorter (2.76 Å) and two longer (2.91 Å) W(1)-W(3) bond lengths. Both W(1)-Co(3) bond lengths are 3.32 Å. In the second W site, W(2) is bonded in a 2-coordinate geometry to two equivalent W(1) and two equivalent W(2) atoms. Both W(2)-W(2) bond lengths are 0.65 Å. In the third W site, W(3) is bonded in a single-bond geometry to one W(3) and two equivalent W(1) atoms. The W(3)-W(3) bond length is 0.65 Å. In the fourth W site, W(4) is bonded in a single-bond geometry to one W(1) and one Co(2) atom. The W(4)-Co(2) bond length is 1.70 Å. In the fifth W site, W(5) is bonded in a single-bond geometry to one W(6) and three equivalent W(1) atoms. The W(5)-W(6) bond length is 0.22 Å. In the sixth W site, W(6) is bonded in a 4-coordinate geometry to one W(5) and three equivalent Co(1) atoms. All W(6)-Co(1) bond lengths are 1.42 Å. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 3-coordinate geometry to one W(6) and two equivalent Co(1) atoms. Both Co(1)-Co(1) bond lengths are 1.31 Å. In the second Co site, Co(2) is bonded in a single-bond geometry to one W(4) atom. In the third Co site, Co(3) is bonded in a distorted single-bond geometry to one W(1) and one Co(3) atom. The Co(3)-Co(3) bond length is 1.31 Å.