data_[Li2Pd6Au6]
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 [P-1]
_cell_length_a [5.4853]
_cell_length_b [6.8032]
_cell_length_c [7.3311]
_cell_angle_alpha [63.5295]
_cell_angle_beta [69.9631]
_cell_angle_gamma [74.2677]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li(PdAu)3]
_chemical_formula_sum '[Li2 Pd6 Au6]'
_cell_volume [227.7843]
_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  0.4728  0.4032  0.3642  1
  Pd  Pd1  2  0.0956  0.8846  0.7691  1
  Pd  Pd2  2  0.1880  0.2623  0.7998  1
  Pd  Pd3  2  0.3344  0.8314  0.0827  1
  Au  Au4  2  0.0557  0.6851  0.5106  1
  Au  Au5  2  0.2417  0.4576  0.0524  1
  Au  Au6  2  0.3913  0.0151  0.3441  1
]