data_La2BiPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   113.14
_cell_angle_beta   113.14
_cell_angle_gamma   102.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2BiPb
_chemical_formula_sum   'La2 Bi1 Pb1'
_cell_volume   127.95
_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
  La  La1  1  0.0  0.04  0.73  1.0
  La  La2  1  0.04  0.0  0.73  1.0
  Bi  Bi0  1  0.0  0.0  0.46  1.0
  Pb  Pb3  1  0.0  0.0  0.0  1.0

data_La2BiPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.92
_cell_length_b   8.6
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   128.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2BiPb
_chemical_formula_sum   'La4 Bi2 Pb2'
_cell_volume   255.9
_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
  La  La0  4  0.48  0.48  0.27  1.0
  Bi  Bi1  2  0.0  0.0  0.54  1.0
  Pb  Pb2  2  0.0  0.0  0.0  1.0

La La Bi Pb