data_[Li4Pd12Au8]
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 [7.0379]
_cell_length_b [7.7301]
_cell_length_c [7.1322]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7809]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiPd3Au2]
_chemical_formula_sum '[Li4 Pd12 Au8]'
_cell_volume [379.8420]
_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  0.0819  0.2500  1
  Pd  Pd1  8  0.2361  0.0783  0.9970  1
  Pd  Pd2  4  0.0000  0.4040  0.2500  1
  Au  Au3  8  0.1253  0.2542  0.6264  1
]