data_[Li12Pd6Au2]
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 [C2/m]
_cell_length_a [8.7500]
_cell_length_b [5.1345]
_cell_length_c [7.3600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6149]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li6Pd3Au]
_chemical_formula_sum '[Li12 Pd6 Au2]'
_cell_volume [307.4096]
_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  0.1649  0.2429  0.3098  1.0
  Li  Li1  4  0.1573  0.5000  0.9231  1.0
  Pd  Pd2  4  0.0943  0.0000  0.6906  1.0
  Pd  Pd3  2  0.0000  0.0000  0.0000  1.0
  Au  Au4  2  0.0000  0.5000  0.5000  1.0
]