data_Ni2TeW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.51
_cell_length_b   8.51
_cell_length_c   8.51
_cell_angle_alpha   20.01
_cell_angle_beta   20.01
_cell_angle_gamma   20.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2TeW
_chemical_formula_sum   'Ni2 Te1 W1'
_cell_volume   63.04
_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  0.86  1.0
  Ni  Ni1  1  0.0  0.0  0.15  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.5  1.0

data_Ni2TeW
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   5.12
_cell_length_b   2.96
_cell_length_c   8.51
_cell_angle_alpha   90.0
_cell_angle_beta   101.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   Ni2TeW
_chemical_formula_sum   'Ni4 Te2 W2'
_cell_volume   126.09
_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, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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  4  0.0  0.0  0.14  1.0
  Te  Te1  2  0.0  0.0  0.0  1.0
  W  W2  2  0.0  0.0  0.5  1.0

Ni Ni Te W
Ni Ni Te W 0 2 o o + 0 3 o o o 1 2 o o o 1 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 
WNi2Te crystallizes in the monoclinic Cm space group. There are two inequivalent W sites. In the first W site, W(1) is bonded to six W(1,1); one Ni(1); and one Ni(2) atom to form a mixture of distorted corner and edge-sharing WNi2W6 hexagonal bipyramids. All W(1)-W(1,1) bond lengths are 2.96 Å. The W(1)-Ni(1) bond length is 3.02 Å. The W(1)-Ni(2) bond length is 3.02 Å. In the second W site, W(1) is bonded to six W(1,1); one Ni(1); and one Ni(2) atom to form a mixture of distorted corner and edge-sharing WNi2W6 hexagonal bipyramids. Both W(1)-W(1) bond lengths are 2.96 Å. The W(1)-Ni(1) bond length is 3.02 Å. The W(1)-Ni(2) bond length is 3.02 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a single-bond geometry to one W(1) and one Te(1) atom. The Ni(1)-Te(1) bond length is 1.21 Å. In the second Ni site, Ni(2) is bonded in a single-bond geometry to one W(1) and one Te(1) atom. The Ni(2)-Te(1) bond length is 1.25 Å. Te(1) is bonded in a linear geometry to one Ni(1) and one Ni(2) atom.