data_BiTeW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99
_cell_length_b   6.99
_cell_length_c   6.99
_cell_angle_alpha   152.36
_cell_angle_beta   152.36
_cell_angle_gamma   39.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiTeW
_chemical_formula_sum   'Bi1 Te1 W1'
_cell_volume   73.31
_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
  Bi  Bi0  1  0.0  0.0  0.76  1.0
  Te  Te1  1  0.0  0.0  0.3  1.0
  W  W2  1  0.0  0.0  0.25  1.0

data_BiTeW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   6.99
_cell_angle_alpha   90.0
_cell_angle_beta   109.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BiTeW
_chemical_formula_sum   'Bi2 Te2 W2'
_cell_volume   146.62
_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
  Bi  Bi0  2  0.0  0.0  0.24  1.0
  Te  Te1  2  0.0  0.0  0.7  1.0
  W  W2  2  0.0  0.0  0.75  1.0

Bi Te W
Bi Te W 0 1 o + + 0 1 + o + 0 1 o o o 0 1 o o + 0 0 + o + 0 0 o + + 0 2 o o o 0 2 o o + 1 2 o o o 
WBiTe crystallizes in the monoclinic Cm space group. W(1) is bonded in a single-bond geometry to one Bi(1) and one Te(1) atom. The W(1)-Bi(1) bond length is 3.39 Å. The W(1)-Te(1) bond length is 0.40 Å. Bi(1) is bonded to one W(1), four equivalent Bi(1), and one Te(1) atom to form a mixture of distorted edge and corner-sharing BiBi4TeW octahedra. The corner-sharing octahedra are not tilted. All Bi(1)-Bi(1) bond lengths are 3.34 Å. The Bi(1)-Te(1) bond length is 3.20 Å. Te(1) is bonded in a single-bond geometry to one W(1) and one Bi(1) atom.