data_[Li7Cd2Au1]
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 [P3m1]
_cell_length_a [4.5364]
_cell_length_b [4.5364]
_cell_length_c [10.0743]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Li7Cd2Au]
_chemical_formula_sum '[Li7 Cd2 Au1]'
_cell_volume [179.5451]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.3593  1
  Li  Li1  1  0.0000  0.0000  0.7708  1
  Li  Li2  1  0.3333  0.6667  0.1397  1
  Li  Li3  1  0.3333  0.6667  0.3863  1
  Li  Li4  1  0.3333  0.6667  0.9104  1
  Li  Li5  1  0.6667  0.3333  0.5425  1
  Li  Li6  1  0.6667  0.3333  0.9418  1
  Cd  Cd7  1  0.3333  0.6667  0.6479  1
  Cd  Cd8  1  0.6667  0.3333  0.2332  1
  Au  Au9  1  0.0000  0.0000  0.0514  1
]