data_BiP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   4.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiP3
_chemical_formula_sum   'Bi2 P6'
_cell_volume   160.93
_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
  Bi  Bi0  1  0.1  0.79  0.64  1.0
  Bi  Bi1  1  0.0  0.57  0.21  1.0
  P  P2  1  0.91  0.67  0.64  1.0
  P  P3  1  0.09  0.67  0.64  1.0
  P  P4  1  0.0  0.37  0.64  1.0
  P  P5  1  0.19  0.69  0.21  1.0
  P  P6  1  0.0  0.69  0.21  1.0
  P  P7  1  0.1  0.99  0.21  1.0

data_BiP3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.85
_cell_length_b   6.19
_cell_length_c   6.19
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BiP3
_chemical_formula_sum   'Bi2 P6'
_cell_volume   160.93
_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
  Bi  Bi0  2  0.21  0.05  0.61  1.0
  P  P1  2  0.21  0.05  0.49  1.0
  P  P2  2  0.21  0.86  0.49  1.0
  P  P3  2  0.21  0.95  0.19  1.0

Bi Bi P P P P P P
Bi Bi P P P P P P 0 3 o o o 0 2 - o o 1 6 o o o 1 5 o o o 2 3 + o o 3 4 o o o 5 6 o o o 6 7 o o o 