data_WBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   105.37
_cell_angle_beta   105.37
_cell_angle_gamma   118.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   WBr2
_chemical_formula_sum   'W2 Br4'
_cell_volume   127.48
_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  0.27  1.0
  W  W5  1  0.0  0.0  0.42  1.0
  Br  Br0  1  0.21  0.14  0.0  1.0
  Br  Br1  1  0.14  0.21  0.84  1.0
  Br  Br2  1  0.56  0.21  0.0  1.0
  Br  Br3  1  0.79  0.14  0.84  1.0

data_WBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   105.37
_cell_angle_beta   105.37
_cell_angle_gamma   118.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   WBr2
_chemical_formula_sum   'W2 Br4'
_cell_volume   127.48
_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  0.27  0.27  0.27  1.0
  W  W1  1  0.42  0.42  0.42  1.0
  Br  Br2  1  0.05  0.71  0.84  1.0
  Br  Br3  1  0.44  0.79  0.0  1.0
  Br  Br4  1  0.71  0.63  0.84  1.0
  Br  Br5  1  0.79  0.86  0.0  1.0

W W Br Br Br Br