data_[Cd20Hg4Au4]
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 [Imma]
_cell_length_a [8.7065]
_cell_length_b [9.3374]
_cell_length_c [7.9483]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Cd5HgAu]
_chemical_formula_sum '[Cd20 Hg4 Au4]'
_cell_volume [646.1655]
_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  8  0.2014  0.2500  0.9954  1
  Cd  Cd1  8  0.2500  0.0032  0.2500  1
  Cd  Cd2  4  0.0000  0.2500  0.3053  1
  Hg  Hg3  4  0.0000  0.2500  0.6789  1
  Au  Au4  4  0.0000  0.0000  0.0000  1
]