data_P2WBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09
_cell_length_b   3.14
_cell_length_c   7.8
_cell_angle_alpha   90.0
_cell_angle_beta   91.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2WBr
_chemical_formula_sum   'P2 W1 Br1'
_cell_volume   100.24
_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
  P  P1  1  0.1  0.57  0.04  1.0
  P  P2  1  0.42  0.0  0.2  1.0
  W  W3  1  0.17  0.57  0.23  1.0
  Br  Br0  1  0.07  0.0  0.23  1.0

data_P2WBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.09
_cell_length_c   7.8
_cell_angle_alpha   91.81
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2WBr
_chemical_formula_sum   'P2 W1 Br1'
_cell_volume   100.24
_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
  P  P0  1  0.0  0.58  0.8  1.0
  P  P1  1  0.43  0.9  0.96  1.0
  W  W2  1  0.43  0.83  0.77  1.0
  Br  Br3  1  0.0  0.93  0.77  1.0

P P W Br