data_B2PtPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   7.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2PtPb
_chemical_formula_sum   'B2 Pt1 Pb1'
_cell_volume   65.91
_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  0.6  0.0  0.16  1.0
  B  B1  1  0.0  0.0  0.14  1.0
  Pt  Pt3  1  0.0  0.0  0.41  1.0
  Pb  Pb2  1  0.6  0.0  0.9  1.0

data_B2PtPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   7.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2PtPb
_chemical_formula_sum   'B2 Pt1 Pb1'
_cell_volume   65.91
_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  0.14  1.0
  B  B1  1  0.6  0.0  0.16  1.0
  Pt  Pt2  1  0.0  0.0  0.41  1.0
  Pb  Pb3  1  0.6  0.0  0.9  1.0

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