data_LaBi2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.69
_cell_length_b   3.69
_cell_length_c   9.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBi2Pb
_chemical_formula_sum   'La1 Bi2 Pb1'
_cell_volume   128.26
_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  La2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.84  0.84  0.1  1.0
  Bi  Bi1  1  0.84  0.84  0.33  1.0
  Pb  Pb3  1  0.0  0.0  0.71  1.0

data_LaBi2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   9.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaBi2Pb
_chemical_formula_sum   'La2 Bi4 Pb2'
_cell_volume   256.52
_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  2  0.0  0.0  0.0  1.0
  Bi  Bi1  2  0.34  0.5  0.1  1.0
  Bi  Bi2  2  0.34  0.5  0.33  1.0
  Pb  Pb3  2  0.0  0.0  0.71  1.0

La Bi Bi Pb
La Bi Bi Pb 0 1 - - o 0 3 o o - 1 2 o o o 