data_B2WSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04
_cell_length_b   6.04
_cell_length_c   6.04
_cell_angle_alpha   150.56
_cell_angle_beta   150.56
_cell_angle_gamma   42.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2WSe
_chemical_formula_sum   'B2 W1 Se1'
_cell_volume   53.22
_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  0.0  0.0  1.0
  B  B1  1  0.54  0.0  0.82  1.0
  W  W3  1  0.0  0.54  0.82  1.0
  Se  Se2  1  0.0  0.0  0.64  1.0

data_B2WSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   6.04
_cell_angle_alpha   104.72
_cell_angle_beta   104.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2WSe
_chemical_formula_sum   'B2 W1 Se1'
_cell_volume   53.22
_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  0.0  0.0  1.0
  B  B1  1  0.82  0.28  0.28  1.0
  W  W2  1  0.28  0.82  0.28  1.0
  Se  Se3  1  0.64  0.64  0.64  1.0

B B W Se
WB2Se crystallizes in the triclinic P1 space group. W(1) is bonded in a 6-coordinate geometry to one B(1), four equivalent B(2), and one Se(1) atom. The W(1)-B(1) bond length is 1.93 Å. There are a spread of W(1)-B(2) bond distances ranging from 2.02-2.33 Å. The W(1)-Se(1) bond length is 2.35 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 2-coordinate geometry to one W(1), one B(2), and one Se(1) atom. The B(1)-B(2) bond length is 1.93 Å. The B(1)-Se(1) bond length is 2.17 Å. In the second B site, B(2) is bonded in a 6-coordinate geometry to four equivalent W(1), one B(1), and one Se(1) atom. The B(2)-Se(1) bond length is 2.35 Å. Se(1) is bonded in a 3-coordinate geometry to one W(1), one B(1), and one B(2) atom.