data_P3Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   6.77
_cell_angle_alpha   106.03
_cell_angle_beta   106.03
_cell_angle_gamma   39.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P3Br
_chemical_formula_sum   'P3 Br1'
_cell_volume   86.2
_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  0.0  0.0  0.0  1.0
  P  P2  1  0.89  0.0  0.72  1.0
  P  P3  1  0.73  0.0  0.75  1.0
  Br  Br0  1  0.31  0.0  0.23  1.0

data_P3Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.57
_cell_length_c   6.77
_cell_angle_alpha   106.03
_cell_angle_beta   90.0
_cell_angle_gamma   109.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P3Br
_chemical_formula_sum   'P3 Br1'
_cell_volume   86.2
_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  0.0  0.0  1.0
  P  P1  1  0.0  0.11  0.28  1.0
  P  P2  1  0.0  0.27  0.25  1.0
  Br  Br3  1  0.0  0.69  0.77  1.0

P P P Br