data_[Li8Pd10Au2]
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 [I4]
_cell_length_a [7.6679]
_cell_length_b [7.6679]
_cell_length_c [5.1714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Li4Pd5Au]
_chemical_formula_sum '[Li8 Pd10 Au2]'
_cell_volume [304.0629]
_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  8  0.1309  0.7504  0.4537  1
  Pd  Pd1  8  0.0547  0.6707  0.9502  1
  Pd  Pd2  2  0.0000  0.0000  0.7019  1
  Au  Au3  2  0.0000  0.0000  0.1926  1
]