data_[Li12Nd8Pd16]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.6439]
_cell_length_b [15.1877]
_cell_length_c [7.7351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Li3(NdPd2)2]
_chemical_formula_sum '[Li12 Nd8 Pd16]'
_cell_volume [663.0388]
_cell_formula_units_Z [4]
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  8  0.2500  0.2180  0.2500  1.0
  Li  Li1  4  0.0000  0.0000  0.0000  1.0
  Nd  Nd2  8  0.0000  0.1131  0.5859  1.0
  Pd  Pd3  8  0.0000  0.1762  0.9735  1.0
  Pd  Pd4  8  0.2500  0.0515  0.2500  1.0
]