data_[Li8Nd6Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.7689]
_cell_length_b [4.9077]
_cell_length_c [30.4808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li4Nd3Pb4]
_chemical_formula_sum '[Li8 Nd6 Pb8]'
_cell_volume [563.8051]
_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
[
  Li  Li0  4  0.0000  0.0000  0.0939  1.0
  Li  Li1  4  0.0000  0.5000  0.2416  1.0
  Nd  Nd2  4  0.0000  0.0000  0.3575  1.0
  Nd  Nd3  2  0.0000  0.5000  0.5000  1.0
  Pb  Pb4  4  0.0000  0.0000  0.1854  1.0
  Pb  Pb5  4  0.0000  0.5000  0.0518  1.0
]