data_[Li6Nd4Pb4]
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 [C2/m]
_cell_length_a [10.9606]
_cell_length_b [4.9411]
_cell_length_c [6.7062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1978]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3(NdPb)2]
_chemical_formula_sum '[Li6 Nd4 Pb4]'
_cell_volume [353.5938]
_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  0.1070  0.5000  0.4285  1.0
  Li  Li1  2  0.0000  0.5000  0.0000  1.0
  Nd  Nd2  4  0.1469  0.0000  0.7600  1.0
  Pb  Pb3  4  0.1541  0.0000  0.2498  1.0
]