data_Sb2WSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   10.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2WSe
_chemical_formula_sum   'Sb2 W1 Se1'
_cell_volume   92.29
_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  0.8  0.0  0.6  1.0
  Sb  Sb1  1  0.8  0.0  0.12  1.0
  W  W3  1  0.0  0.0  0.36  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   2.99
_cell_length_b   2.99
_cell_length_c   10.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2WSe
_chemical_formula_sum   'Sb2 W1 Se1'
_cell_volume   92.29
_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  0.8  0.0  0.12  1.0
  Sb  Sb1  1  0.8  0.0  0.6  1.0
  W  W2  1  0.0  0.0  0.36  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Sb Sb W Se
Sb Sb W Se 0 0 o + o 0 0 + o o 0 2 + o o 1 3 + o o 1 2 + o o 2 2 o + o 2 2 + o o 