data_BPtPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.49
_cell_length_b   7.49
_cell_length_c   7.49
_cell_angle_alpha   153.22
_cell_angle_beta   149.86
_cell_angle_gamma   40.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BPtPb2
_chemical_formula_sum   'B1 Pt1 Pb2'
_cell_volume   94.93
_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
  B  B0  1  0.0  0.0  0.68  1.0
  Pt  Pt3  1  0.73  0.0  0.72  1.0
  Pb  Pb1  1  0.73  0.0  0.27  1.0
  Pb  Pb2  1  0.0  0.0  0.41  1.0

data_BPtPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   3.9
_cell_length_c   7.49
_cell_angle_alpha   105.07
_cell_angle_beta   103.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BPtPb2
_chemical_formula_sum   'B1 Pt1 Pb2'
_cell_volume   94.93
_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
  B  B0  1  0.0  0.68  0.68  1.0
  Pt  Pt1  1  0.0  0.72  0.98  1.0
  Pb  Pb2  1  0.0  0.27  0.53  1.0
  Pb  Pb3  1  0.0  0.41  0.41  1.0

B Pt Pb Pb