data_[Cd4Hg4Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [5.6890]
_cell_length_b [5.8068]
_cell_length_c [11.2991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4780]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [CdHgAu2]
_chemical_formula_sum '[Cd4 Hg4 Au8]'
_cell_volume [339.7173]
_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
[
  Cd  Cd0  4  0.2493  0.3576  0.8762  1.0
  Hg  Hg1  4  0.1437  0.2735  0.1267  1.0
  Au  Au2  4  0.2598  0.2201  0.6346  1.0
  Au  Au3  4  0.3733  0.1486  0.3930  1.0
]