data_BiW2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   3.19
_cell_length_c   8.25
_cell_angle_alpha   90.0
_cell_angle_beta   100.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiW2Cl
_chemical_formula_sum   'Bi1 W2 Cl1'
_cell_volume   86.62
_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  0.15  0.59  0.45  1.0
  W  W2  1  0.19  0.59  0.78  1.0
  W  W3  1  0.5  0.0  0.46  1.0
  Cl  Cl1  1  0.74  0.0  0.59  1.0

data_BiW2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   3.35
_cell_length_c   8.25
_cell_angle_alpha   100.61
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiW2Cl
_chemical_formula_sum   'Bi1 W2 Cl1'
_cell_volume   86.62
_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  0.41  0.85  0.55  1.0
  W  W1  1  0.0  0.5  0.54  1.0
  W  W2  1  0.41  0.81  0.22  1.0
  Cl  Cl3  1  0.0  0.26  0.41  1.0

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