data_BiWBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.44
_cell_length_b   11.44
_cell_length_c   11.44
_cell_angle_alpha   16.57
_cell_angle_beta   16.57
_cell_angle_gamma   16.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiWBr2
_chemical_formula_sum   'Bi1 W1 Br2'
_cell_volume   106.21
_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  0.92  1.0
  W  W3  1  0.0  0.0  0.0  1.0
  Br  Br1  1  0.0  0.0  0.39  1.0
  Br  Br2  1  0.0  0.0  0.45  1.0

data_BiWBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.71
_cell_length_b   3.3
_cell_length_c   11.44
_cell_angle_alpha   90.0
_cell_angle_beta   99.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BiWBr2
_chemical_formula_sum   'Bi2 W2 Br4'
_cell_volume   212.42
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.08  1.0
  W  W1  2  0.0  0.0  0.0  1.0
  Br  Br2  2  0.0  0.0  0.55  1.0
  Br  Br3  2  0.0  0.0  0.61  1.0

Bi W Br Br