data_[Li12Pd4Au4]
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 [13.9523]
_cell_length_b [4.1065]
_cell_length_c [5.3699]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3699]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3PdAu]
_chemical_formula_sum '[Li12 Pd4 Au4]'
_cell_volume [302.6406]
_cell_formula_units_Z [4]
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  0.0055  0.5000  0.2327  1
  Li  Li1  4  0.1139  0.0000  0.5054  1
  Li  Li2  4  0.2051  0.5000  0.8322  1
  Pd  Pd3  4  0.2000  0.5000  0.3314  1
  Au  Au4  4  0.1025  0.0000  0.0013  1
]