data_[Li4Pd10Au10]
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 [12.1153]
_cell_length_b [4.0153]
_cell_length_c [8.9525]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.9090]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2(PdAu)5]
_chemical_formula_sum '[Li4 Pd10 Au10]'
_cell_volume [388.3562]
_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  0.0824  0.0000  0.7474  1.0
  Pd  Pd1  4  0.1662  0.0000  0.5008  1.0
  Pd  Pd2  4  0.2475  0.5000  0.7483  1.0
  Pd  Pd3  2  0.0000  0.0000  0.0000  1.0
  Au  Au4  4  0.0839  0.5000  0.2525  1.0
  Au  Au5  4  0.1671  0.5000  0.9990  1.0
  Au  Au6  2  0.0000  0.5000  0.5000  1.0
]