data_WBr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89
_cell_length_b   7.44
_cell_length_c   9.98
_cell_angle_alpha   109.82
_cell_angle_beta   90.85
_cell_angle_gamma   116.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   WBr5
_chemical_formula_sum   'W2 Br10'
_cell_volume   423.98
_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  0.13  0.91  0.24  1.0
  W  W1  1  0.33  0.92  0.97  1.0
  Br  Br2  1  0.23  0.84  0.83  1.0
  Br  Br3  1  0.24  0.99  0.38  1.0
  Br  Br4  1  0.77  0.69  0.14  1.0
  Br  Br5  1  0.69  0.14  0.07  1.0
  Br  Br6  1  0.32  0.88  0.29  1.0
  Br  Br7  1  0.14  0.95  0.92  1.0
  Br  Br8  1  0.22  0.61  0.84  1.0
  Br  Br9  1  0.24  0.22  0.38  1.0
  Br  Br10  1  0.15  0.34  0.98  1.0
  Br  Br11  1  0.31  0.49  0.23  1.0

data_WBr5
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.89
_cell_length_b   7.44
_cell_length_c   9.98
_cell_angle_alpha   109.82
_cell_angle_beta   90.85
_cell_angle_gamma   116.2
_symmetry_Int_Tables_number   2
_chemical_formula_structural   WBr5
_chemical_formula_sum   'W2 Br10'
_cell_volume   423.98
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.1  0.51  0.87  1.0
  Br  Br1  2  0.0  0.58  0.28  1.0
  Br  Br2  2  0.01  0.81  0.27  1.0
  Br  Br3  2  0.08  0.08  0.13  1.0
  Br  Br4  2  0.09  0.47  0.19  1.0
  Br  Br5  2  0.46  0.72  0.97  1.0

W W Br Br Br Br Br Br Br Br Br Br