data_[Li4Nd4Al4Pd12]
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
  Al  1.6100  1.2500  0.6750
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.7699]
_cell_length_b [12.6316]
_cell_length_c [5.9437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LiNdAlPd3]
_chemical_formula_sum '[Li4 Nd4 Al4 Pd12]'
_cell_volume [433.1962]
_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  4  0.0000  0.1052  0.2500  1
  Nd  Nd1  4  0.0000  0.3223  0.2500  1
  Al  Al2  4  0.0000  0.3817  0.7500  1
  Pd  Pd3  8  0.2471  0.0000  0.0000  1
  Pd  Pd4  4  0.0000  0.1800  0.7500  1
]