data_[Li2Pd6Au12]
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 [P2_1/m]
_cell_length_a [10.5072]
_cell_length_b [2.8430]
_cell_length_c [11.6908]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6794]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li(PdAu2)3]
_chemical_formula_sum '[Li2 Pd6 Au12]'
_cell_volume [343.1760]
_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  2  0.0472  0.7500  0.7261  1.0
  Pd  Pd1  2  0.0729  0.7500  0.0936  1.0
  Pd  Pd2  2  0.3714  0.2500  0.5020  1.0
  Pd  Pd3  2  0.4226  0.7500  0.9020  1.0
  Au  Au4  2  0.1228  0.7500  0.4927  1.0
  Au  Au5  2  0.1882  0.2500  0.9197  1.0
  Au  Au6  2  0.2019  0.2500  0.2902  1.0
  Au  Au7  2  0.2667  0.2500  0.7045  1.0
  Au  Au8  2  0.3432  0.7500  0.1185  1.0
  Au  Au9  2  0.4870  0.2500  0.3109  1.0
]