data_BPtPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   8.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BPtPb2
_chemical_formula_sum   'B1 Pt1 Pb2'
_cell_volume   86.19
_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  0.41  1.0
  Pt  Pt3  1  0.58  0.58  0.33  1.0
  Pb  Pb1  1  0.58  0.58  0.23  1.0
  Pb  Pb2  1  0.0  0.0  0.64  1.0

data_BPtPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   8.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BPtPb2
_chemical_formula_sum   'B2 Pt2 Pb4'
_cell_volume   172.38
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.41  1.0
  Pt  Pt1  2  0.08  0.5  0.33  1.0
  Pb  Pb2  2  0.0  0.0  0.64  1.0
  Pb  Pb3  2  0.08  0.5  0.23  1.0

B Pt Pb Pb
B Pt Pb Pb 0 2 - - o 0 1 - - o 0 1 - o o 0 1 o - o 0 3 o o o 1 2 o o o 