data_[Li4Pd8Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.9630]
_cell_length_b [5.6788]
_cell_length_c [4.9694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9044]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiPd2Au3]
_chemical_formula_sum '[Li4 Pd8 Au12]'
_cell_volume [393.9913]
_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  0.1397  0.7500  1.0
  Pd  Pd1  8  0.1650  0.3761  0.5824  1.0
  Au  Au2  8  0.1632  0.1224  0.0833  1.0
  Au  Au3  4  0.0000  0.3689  0.2500  1.0
]