data_[Li4Pd4Au6]
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 [Pmna]
_cell_length_a [4.9569]
_cell_length_b [5.2265]
_cell_length_c [8.5609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [53]
_chemical_formula_structural [Li2Pd2Au3]
_chemical_formula_sum '[Li4 Pd4 Au6]'
_cell_volume [221.7909]
_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  4  0.2500  0.0718  0.7500  1
  Pd  Pd1  4  0.0000  0.4891  0.3380  1
  Au  Au2  4  0.0000  0.2540  0.0384  1
  Au  Au3  2  0.0000  0.0000  0.5000  1
]