data_BiPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.62
_cell_length_b   12.62
_cell_length_c   12.62
_cell_angle_alpha   161.13
_cell_angle_beta   161.13
_cell_angle_gamma   26.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPb2
_chemical_formula_sum   'Bi2 Pb4'
_cell_volume   210.15
_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  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.0  0.07  0.14  1.0
  Pb  Pb2  1  0.0  0.0  0.97  1.0
  Pb  Pb3  1  0.07  0.0  0.45  1.0
  Pb  Pb4  1  0.0  0.0  0.58  1.0
  Pb  Pb5  1  0.07  0.0  0.83  1.0

data_BiPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.14
_cell_length_b   4.14
_cell_length_c   12.62
_cell_angle_alpha   99.44
_cell_angle_beta   99.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPb2
_chemical_formula_sum   'Bi2 Pb4'
_cell_volume   210.15
_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  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.93  0.07  0.93  1.0
  Pb  Pb2  1  0.03  0.0  0.03  1.0
  Pb  Pb3  1  0.17  0.0  0.24  1.0
  Pb  Pb4  1  0.42  0.0  0.42  1.0
  Pb  Pb5  1  0.55  0.0  0.62  1.0

Bi Bi Pb Pb Pb Pb