data_[Li48Cd8Au8]
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 [Cmmm]
_cell_length_a [8.2758]
_cell_length_b [11.4144]
_cell_length_c [11.5606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Li6CdAu]
_chemical_formula_sum '[Li48 Cd8 Au8]'
_cell_volume [1092.0568]
_cell_formula_units_Z [8]
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  16  0.2378  0.1225  0.3695  1
  Li  Li1  16  0.2401  0.1275  0.1198  1
  Li  Li2  8  0.0000  0.2469  0.2395  1
  Li  Li3  2  0.0000  0.0000  0.0000  1
  Li  Li4  2  0.0000  0.0000  0.5000  1
  Li  Li5  2  0.0000  0.5000  0.0000  1
  Li  Li6  2  0.0000  0.5000  0.5000  1
  Cd  Cd7  4  0.0000  0.2572  0.5000  1
  Cd  Cd8  4  0.0000  0.5000  0.2501  1
  Au  Au9  4  0.0000  0.0000  0.2484  1
  Au  Au10  4  0.0000  0.2570  0.0000  1
]