data_La2RePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   8.13
_cell_angle_alpha   97.16
_cell_angle_beta   97.16
_cell_angle_gamma   45.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2RePb
_chemical_formula_sum   'La2 Re1 Pb1'
_cell_volume   117.56
_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  La0  1  0.27  0.0  0.43  1.0
  La  La1  1  0.95  0.0  0.63  1.0
  Re  Re3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.61  0.0  0.03  1.0

data_La2RePb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.51
_cell_length_c   8.13
_cell_angle_alpha   97.16
_cell_angle_beta   90.0
_cell_angle_gamma   112.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2RePb
_chemical_formula_sum   'La2 Re1 Pb1'
_cell_volume   117.56
_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  La0  1  0.0  0.05  0.37  1.0
  La  La1  1  0.0  0.73  0.57  1.0
  Re  Re2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.39  0.97  1.0

La La Re Pb