data_[Ba1Cd1Hg2Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5685]
_cell_length_b [6.9570]
_cell_length_c [8.6726]
_cell_angle_alpha [83.6869]
_cell_angle_beta [78.1320]
_cell_angle_gamma [89.5588]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaCd(HgCl4)2]
_chemical_formula_sum '[Ba1 Cd1 Hg2 Cl8]'
_cell_volume [385.4410]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Cd  Cd1  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.4866  0.5099  0.7702  1.0
  Cl  Cl3  2  0.2094  0.8397  0.1934  1.0
  Cl  Cl4  2  0.2531  0.3543  0.9944  1.0
  Cl  Cl5  2  0.2536  0.8648  0.7549  1.0
  Cl  Cl6  2  0.2664  0.3885  0.4675  1.0
]