data_P4Br5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.77
_cell_length_b   11.77
_cell_length_c   4.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P4Br5
_chemical_formula_sum   'P8 Br10'
_cell_volume   573.16
_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
  P  P10  1  0.0  0.0  0.39  1.0
  P  P11  1  0.0  0.0  0.0  1.0
  P  P12  1  0.03  0.25  0.59  1.0
  P  P13  1  0.71  0.0  0.59  1.0
  P  P14  1  0.15  0.94  0.59  1.0
  P  P15  1  0.85  0.94  0.2  1.0
  P  P16  1  0.06  0.0  0.2  1.0
  P  P17  1  0.97  0.25  0.2  1.0
  Br  Br0  1  0.14  0.16  0.59  1.0
  Br  Br1  1  0.5  0.0  0.59  1.0
  Br  Br2  1  0.25  0.03  0.59  1.0
  Br  Br3  1  0.75  0.03  0.2  1.0
  Br  Br4  1  0.27  0.0  0.2  1.0
  Br  Br5  1  0.86  0.16  0.2  1.0
  Br  Br6  1  0.0  0.79  0.39  1.0
  Br  Br7  1  0.88  0.4  0.0  1.0
  Br  Br8  1  0.88  0.4  0.39  1.0
  Br  Br9  1  0.0  0.79  0.0  1.0

data_P4Br5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.78
_cell_length_b   11.77
_cell_length_c   11.77
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P4Br5
_chemical_formula_sum   'P8 Br10'
_cell_volume   573.16
_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
  P  P0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.2  0.06  0.0  1.0
  P  P2  1  0.2  0.85  0.94  1.0
  P  P3  1  0.2  0.97  0.25  1.0
  P  P4  1  0.39  0.0  0.0  1.0
  P  P5  1  0.59  0.03  0.25  1.0
  P  P6  1  0.59  0.15  0.94  1.0
  P  P7  1  0.59  0.71  0.0  1.0
  Br  Br8  1  0.0  0.0  0.79  1.0
  Br  Br9  1  0.0  0.88  0.4  1.0
  Br  Br10  1  0.2  0.27  0.0  1.0
  Br  Br11  1  0.2  0.75  0.03  1.0
  Br  Br12  1  0.2  0.86  0.16  1.0
  Br  Br13  1  0.39  0.0  0.79  1.0
  Br  Br14  1  0.39  0.88  0.4  1.0
  Br  Br15  1  0.59  0.14  0.16  1.0
  Br  Br16  1  0.59  0.25  0.03  1.0
  Br  Br17  1  0.59  0.5  0.0  1.0

P P P P P P P P Br Br Br Br Br Br Br Br Br Br