data_WBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.3
_cell_length_b   6.45
_cell_length_c   3.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   WBr2
_chemical_formula_sum   'W2 Br4'
_cell_volume   132.15
_cell_formula_units_Z   2
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
  W  W4  1  0.0  0.0  0.0  1.0
  W  W5  1  0.15  0.23  0.63  1.0
  Br  Br0  1  0.38  0.26  0.0  1.0
  Br  Br1  1  0.91  0.19  0.0  1.0
  Br  Br2  1  0.53  0.42  0.63  1.0
  Br  Br3  1  0.77  0.03  0.63  1.0

data_WBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   6.3
_cell_length_c   6.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   WBr2
_chemical_formula_sum   'W2 Br4'
_cell_volume   132.15
_cell_formula_units_Z   2
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
  W  W0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.63  0.15  0.23  1.0
  Br  Br2  1  -0.0  0.38  0.26  1.0
  Br  Br3  1  -0.0  0.91  0.19  1.0
  Br  Br4  1  0.63  0.53  0.42  1.0
  Br  Br5  1  0.63  0.77  0.03  1.0

W W Br Br Br Br