data_[Ba2Cd10Hg22]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1176]
_cell_length_b [12.3430]
_cell_length_c [6.8225]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4482]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaCd5Hg11]
_chemical_formula_sum '[Ba2 Cd10 Hg22]'
_cell_volume [923.5249]
_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  0.0000  1
  Cd  Cd1  8  0.1916  0.1630  0.6419  1
  Cd  Cd2  2  0.0000  0.5000  0.0000  1
  Hg  Hg3  8  0.0418  0.2652  0.2486  1
  Hg  Hg4  8  0.2181  0.3718  0.8879  1
  Hg  Hg5  4  0.1285  0.5000  0.4655  1
  Hg  Hg6  2  0.0000  0.0000  0.5000  1
]