data_NdCo2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   4.49
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdCo2Os
_chemical_formula_sum   'Nd1 Co2 Os1'
_cell_volume   63.91
_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
  Nd  Nd2  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.59  0.59  0.59  1.0
  Co  Co1  1  0.76  0.76  0.76  1.0
  Os  Os3  1  0.17  0.17  0.17  1.0

data_NdCo2Os
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   10.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NdCo2Os
_chemical_formula_sum   'Nd3 Co6 Os3'
_cell_volume   191.74
_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+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Nd  Nd0  3  0.0  0.0  0.0  1.0
  Co  Co1  3  0.0  0.0  0.24  1.0
  Co  Co2  3  0.0  0.0  0.41  1.0
  Os  Os3  3  0.0  0.0  0.83  1.0

Nd Co Co Os
NdOsCo2 crystallizes in the trigonal R3m space group. Nd(1) is bonded in a distorted single-bond geometry to one Os(1), three equivalent Co(1), and four equivalent Co(2) atoms. The Nd(1)-Os(1) bond length is 1.91 Å. All Nd(1)-Co(1) bond lengths are 2.74 Å. There is one shorter (2.64 Å) and three longer (2.79 Å) Nd(1)-Co(2) bond lengths. Os(1) is bonded in a single-bond geometry to one Nd(1), three equivalent Co(1), and three equivalent Co(2) atoms. All Os(1)-Co(1) bond lengths are 2.74 Å. All Os(1)-Co(2) bond lengths are 2.74 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 7-coordinate geometry to three equivalent Nd(1), three equivalent Os(1), and one Co(2) atom. The Co(1)-Co(2) bond length is 1.91 Å. In the second Co site, Co(2) is bonded in a 8-coordinate geometry to four equivalent Nd(1), three equivalent Os(1), and one Co(1) atom.