data_[Ba2Cd4Hg4]
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 [P-1]
_cell_length_a [5.3543]
_cell_length_b [6.4788]
_cell_length_c [9.4155]
_cell_angle_alpha [80.9124]
_cell_angle_beta [75.2787]
_cell_angle_gamma [66.7833]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ba(CdHg)2]
_chemical_formula_sum '[Ba2 Cd4 Hg4]'
_cell_volume [289.6995]
_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  0.3082  0.6505  0.2164  1.0
  Cd  Cd1  2  0.0554  0.7922  0.6150  1.0
  Cd  Cd2  2  0.3712  0.9391  0.8149  1.0
  Hg  Hg3  2  0.0950  0.2582  0.0604  1.0
  Hg  Hg4  2  0.3470  0.2590  0.5393  1.0
]