data_P2WBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   3.41
_cell_length_c   8.08
_cell_angle_alpha   101.0
_cell_angle_beta   101.0
_cell_angle_gamma   59.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2WBr
_chemical_formula_sum   'P2 W1 Br1'
_cell_volume   79.28
_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  0.04  0.0  0.42  1.0
  P  P2  1  0.1  0.0  0.46  1.0
  W  W3  1  0.07  0.0  0.94  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_P2WBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   3.41
_cell_length_c   8.08
_cell_angle_alpha   101.0
_cell_angle_beta   90.0
_cell_angle_gamma   119.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2WBr
_chemical_formula_sum   'P2 W1 Br1'
_cell_volume   79.28
_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  0.9  0.54  1.0
  P  P1  1  0.0  0.96  0.58  1.0
  W  W2  1  0.0  0.93  0.06  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

P P W Br
P P W Br 0 1 o o o 2 3 o o + 