data_NiTeOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiTeOs2
_chemical_formula_sum   'Ni1 Te1 Os2'
_cell_volume   61.29
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.1  1.0
  Os  Os1  1  0.57  0.57  0.32  1.0
  Os  Os2  1  0.57  0.57  0.88  1.0

data_NiTeOs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NiTeOs2
_chemical_formula_sum   'Ni2 Te2 Os4'
_cell_volume   122.58
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ni  Ni0  2  0.0  0.0  0.0  1.0
  Te  Te1  2  0.0  0.0  0.1  1.0
  Os  Os2  2  0.07  0.5  0.32  1.0
  Os  Os3  2  0.07  0.5  0.88  1.0

Ni Te Os Os
Ni Te Os Os 0 1 o o o 0 2 o - o 0 2 - o o 0 2 - - o 0 3 o o - 0 3 o - - 0 3 - o - 0 3 - - - 1 2 o o o 1 2 o - o 1 2 - o o 1 2 - - o 1 3 o - - 1 3 - o - 1 3 - - - 2 2 + o o 2 2 o + o 2 3 o o - 
Os2NiTe crystallizes in the monoclinic Cm space group. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 10-coordinate geometry to two equivalent Os(2), four equivalent Os(1), and four equivalent Te(1) atoms. There is one shorter (2.74 Å) and one longer (3.46 Å) Os(1)-Os(2) bond length. All Os(1)-Os(1) bond lengths are 3.15 Å. There are a spread of Os(1)-Te(1) bond distances ranging from 2.34-2.89 Å. In the second Os site, Os(2) is bonded in a 4-coordinate geometry to two equivalent Os(1) and four equivalent Ni(1) atoms. There are a spread of Os(2)-Ni(1) bond distances ranging from 2.05-2.66 Å. Ni(1) is bonded in a single-bond geometry to four equivalent Os(2) and one Te(1) atom. The Ni(1)-Te(1) bond length is 0.61 Å. Te(1) is bonded in a single-bond geometry to four equivalent Os(1) and one Ni(1) atom.