data_[Cd16Hg4Au2]
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 [C2/m]
_cell_length_a [16.6893]
_cell_length_b [4.4422]
_cell_length_c [7.0661]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5466]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd8Hg2Au]
_chemical_formula_sum '[Cd16 Hg4 Au2]'
_cell_volume [493.6744]
_cell_formula_units_Z [2]
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  0.0398  0.0000  0.7356  1.0
  Cd  Cd1  4  0.0896  0.5000  0.4496  1.0
  Cd  Cd2  4  0.1337  0.0000  0.1813  1.0
  Cd  Cd3  4  0.1742  0.5000  0.9120  1.0
  Hg  Hg4  4  0.2225  0.0000  0.6444  1.0
  Au  Au5  2  0.0000  0.5000  0.0000  1.0
]