data_B2TeW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   138.7
_cell_angle_beta   115.45
_cell_angle_gamma   79.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2TeW
_chemical_formula_sum   'B2 Te1 W1'
_cell_volume   53.67
_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
  B  B0  1  0.0  0.42  0.7  1.0
  B  B1  1  0.6  0.0  0.78  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.48  1.0

data_B2TeW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   64.55
_cell_angle_beta   69.35
_cell_angle_gamma   69.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2TeW
_chemical_formula_sum   'B2 Te1 W1'
_cell_volume   53.67
_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
  B  B0  1  0.18  0.6  0.22  1.0
  B  B1  1  0.7  0.0  0.72  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.48  -0.0  0.52  1.0

B B Te W
B B Te W 0 3 o o o 0 2 o + + 1 2 + o + 
WB2Te crystallizes in the triclinic P1 space group. W(1) is bonded in a distorted single-bond geometry to one B(1), one B(2), and two equivalent Te(1) atoms. The W(1)-B(1) bond length is 1.31 Å. The W(1)-B(2) bond length is 2.44 Å. There is one shorter (2.16 Å) and one longer (2.36 Å) W(1)-Te(1) bond length. There are two inequivalent B sites. In the first B site, B(1) is bonded in a distorted single-bond geometry to one W(1) and two equivalent Te(1) atoms. There is one shorter (1.85 Å) and one longer (2.15 Å) B(1)-Te(1) bond length. In the second B site, B(2) is bonded in a 2-coordinate geometry to one W(1) and one Te(1) atom. The B(2)-Te(1) bond length is 1.66 Å. Te(1) is bonded in a 5-coordinate geometry to two equivalent W(1), one B(2), and two equivalent B(1) atoms.