data_BiPPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.67
_cell_length_b   6.67
_cell_length_c   6.67
_cell_angle_alpha   147.51
_cell_angle_beta   134.54
_cell_angle_gamma   56.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPPb2
_chemical_formula_sum   'Bi1 P1 Pb2'
_cell_volume   112.51
_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
  Bi  Bi0  1  0.0  0.0  0.86  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.86  0.0  0.28  1.0
  Pb  Pb3  1  0.0  0.58  0.57  1.0

data_BiPPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   5.15
_cell_length_c   6.67
_cell_angle_alpha   112.73
_cell_angle_beta   106.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPPb2
_chemical_formula_sum   'Bi1 P1 Pb2'
_cell_volume   112.51
_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
  Bi  Bi0  1  0.14  0.14  0.14  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.43  0.0  0.0  1.0
  Pb  Pb3  1  0.58  0.72  0.58  1.0

Bi P Pb Pb