data_[Ba2Cd16Hg2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [10.5846]
_cell_length_b [5.9662]
_cell_length_c [10.2764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4475]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaCd8HgAu2]
_chemical_formula_sum '[Ba2 Cd16 Hg2 Au4]'
_cell_volume [625.5092]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.5000  1.0
  Cd  Cd1  8  0.1808  0.2498  0.2373  1.0
  Cd  Cd2  4  0.1769  0.5000  0.5020  1.0
  Cd  Cd3  4  0.1914  0.5000  0.9883  1.0
  Hg  Hg4  2  0.0000  0.0000  0.0000  1.0
  Au  Au5  4  0.0531  0.5000  0.7174  1.0
]