data_[Li2Pd4Au8]
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 [P1]
_cell_length_a [5.7095]
_cell_length_b [6.4210]
_cell_length_c [7.0270]
_cell_angle_alpha [111.5338]
_cell_angle_beta [90.0412]
_cell_angle_gamma [102.9670]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li(PdAu2)2]
_chemical_formula_sum '[Li2 Pd4 Au8]'
_cell_volume [232.5385]
_cell_formula_units_Z [2]
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  1  0.3420  0.8450  0.5343  1.0
  Li  Li1  1  0.9109  0.1258  0.9635  1.0
  Pd  Pd2  1  0.1963  0.2626  0.6772  1.0
  Pd  Pd3  1  0.4821  0.4086  0.3934  1.0
  Pd  Pd4  1  0.6258  0.9831  0.2495  1.0
  Pd  Pd5  1  0.6951  0.2654  0.6769  1.0
  Au  Au6  1  0.0519  0.6995  0.8209  1.0
  Au  Au7  1  0.1305  0.9862  0.2549  1.0
  Au  Au8  1  0.2673  0.5497  0.1107  1.0
  Au  Au9  1  0.4141  0.1219  0.9561  1.0
  Au  Au10  1  0.5504  0.6945  0.8152  1.0
  Au  Au11  1  0.7682  0.5496  0.1091  1.0
  Au  Au12  1  0.8338  0.8493  0.5420  1.0
  Au  Au13  1  0.9815  0.4089  0.3962  1.0
]