data_WBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.1
_cell_length_b   7.1
_cell_length_c   7.36
_cell_angle_alpha   115.42
_cell_angle_beta   115.42
_cell_angle_gamma   26.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   WBr
_chemical_formula_sum   'W3 Br3'
_cell_volume   147.19
_cell_formula_units_Z   3
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  W3  1  0.46  0.0  0.81  1.0
  W  W4  1  0.11  0.0  0.34  1.0
  W  W5  1  0.42  0.0  0.85  1.0
  Br  Br0  1  0.0  0.0  0.41  1.0
  Br  Br1  1  0.42  0.0  0.49  1.0
  Br  Br2  1  0.22  0.0  0.23  1.0

data_WBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   7.1
_cell_length_c   7.36
_cell_angle_alpha   115.42
_cell_angle_beta   90.0
_cell_angle_gamma   103.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   WBr
_chemical_formula_sum   'W3 Br3'
_cell_volume   147.19
_cell_formula_units_Z   3
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  0.54  0.19  1.0
  W  W1  1  0.0  0.58  0.15  1.0
  W  W2  1  0.0  0.89  0.66  1.0
  Br  Br3  1  0.0  0.58  0.51  1.0
  Br  Br4  1  0.0  0.78  0.77  1.0
  Br  Br5  1  0.0  1.0  0.59  1.0

W W W Br Br Br