data_[La6Nd2Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2432]
_cell_length_b [6.8902]
_cell_length_c [8.6734]
_cell_angle_alpha [103.9924]
_cell_angle_beta [108.3735]
_cell_angle_gamma [94.1440]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La3NdPb]
_chemical_formula_sum '[La6 Nd2 Pb2]'
_cell_volume [339.0799]
_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
[
  La  La0  2  0.0141  0.0652  0.8185  1.0
  La  La1  2  0.1456  0.4674  0.2366  1.0
  La  La2  2  0.3325  0.8295  0.5938  1.0
  Nd  Nd3  2  0.4217  0.7502  0.0103  1.0
  Pb  Pb4  2  0.2715  0.3265  0.6106  1.0
]