data_BiW3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   2.91
_cell_length_c   9.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiW3
_chemical_formula_sum   'Bi1 W3'
_cell_volume   76.35
_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  0.82  1.0
  W  W1  1  0.65  0.0  0.11  1.0
  W  W2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.65  0.0  0.53  1.0

data_BiW3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   2.91
_cell_length_c   9.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiW3
_chemical_formula_sum   'Bi1 W3'
_cell_volume   76.35
_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  0.82  1.0
  W  W1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.65  0.0  0.11  1.0
  W  W3  1  0.65  0.0  0.53  1.0

Bi W W W
Bi W W W 0 2 o o + 0 3 o o o 0 3 - o o 1 2 + o o 3 3 + + o 3 3 o + o 3 3 + o o 