data_Sb2WSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44
_cell_length_b   3.47
_cell_length_c   7.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2WSe
_chemical_formula_sum   'Sb2 W1 Se1'
_cell_volume   83.78
_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
  Sb  Sb0  1  0.66  0.73  0.09  1.0
  Sb  Sb1  1  0.67  0.73  0.94  1.0
  W  W3  1  0.95  0.0  0.52  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0

data_Sb2WSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   3.47
_cell_length_c   7.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2WSe
_chemical_formula_sum   'Sb2 W1 Se1'
_cell_volume   83.78
_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
  Sb  Sb0  1  0.66  0.73  0.09  1.0
  Sb  Sb1  1  0.67  0.73  0.94  1.0
  W  W2  1  0.95  0.0  0.52  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Sb Sb W Se
Sb Sb W Se 0 1 o o - 0 2 o + o 0 2 o o o 0 2 - + o 0 3 + + o 1 2 o + o 1 2 o o o 1 2 - + o 1 3 + + + 2 2 + o o 2 2 o + o 2 3 + o o 2 3 + o + 
WSb2Se crystallizes in the triclinic P1 space group. W(1) is bonded in a 7-coordinate geometry to four equivalent W(1), one Sb(1), one Sb(2), and one Se(1) atom. There are two shorter (3.44 Å) and two longer (3.47 Å) W(1)-W(1) bond lengths. The W(1)-Sb(1) bond length is 3.28 Å. The W(1)-Sb(2) bond length is 3.29 Å. The W(1)-Se(1) bond length is 3.41 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 2-coordinate geometry to one W(1), one Sb(2), and one Se(1) atom. The Sb(1)-Sb(2) bond length is 1.02 Å. The Sb(1)-Se(1) bond length is 1.62 Å. In the second Sb site, Sb(2) is bonded in a 2-coordinate geometry to one W(1), one Sb(1), and one Se(1) atom. The Sb(2)-Se(1) bond length is 1.51 Å. Se(1) is bonded in a 2-coordinate geometry to one W(1), one Sb(1), and one Sb(2) atom.