data_[Li12Pr8Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pr  1.1300  1.8500  1.0600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.6558]
_cell_length_b [15.2806]
_cell_length_c [7.7604]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Li3(PrPd2)2]
_chemical_formula_sum '[Li12 Pr8 Pd16]'
_cell_volume [670.6801]
_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  0.2182  0.2500  1.0
  Li  Li1  4  0.0000  0.0000  0.0000  1.0
  Pr  Pr2  8  0.0000  0.1132  0.5855  1.0
  Pd  Pd3  8  0.0000  0.1762  0.9746  1.0
  Pd  Pd4  8  0.2500  0.0524  0.2500  1.0
]