data_[Li28Cd4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cd  1.6900  1.5500  1.0900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [2.8944]
_cell_length_b [21.6610]
_cell_length_c [12.3092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Li7CdAu3]
_chemical_formula_sum '[Li28 Cd4 Au12]'
_cell_volume [771.7398]
_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  8  0.0000  0.2710  0.0988  1
  Li  Li1  8  0.0000  0.3992  0.1164  1
  Li  Li2  8  0.0000  0.4497  0.5867  1
  Li  Li3  4  0.0000  0.3386  0.7500  1
  Cd  Cd4  4  0.0000  0.0126  0.7500  1
  Au  Au5  8  0.0000  0.1532  0.0506  1
  Au  Au6  4  0.0000  0.1725  0.7500  1
]