data_[Ba1Cd1Hg1Cl6]
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 [P312]
_cell_length_a [6.9493]
_cell_length_b [6.9493]
_cell_length_c [6.6993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [BaCdHgCl6]
_chemical_formula_sum '[Ba1 Cd1 Hg1 Cl6]'
_cell_volume [280.1883]
_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  0.3333  0.6667  0.0000  1.0
  Cd  Cd1  1  0.0000  0.0000  0.5000  1.0
  Hg  Hg2  1  0.6667  0.3333  0.5000  1.0
  Cl  Cl3  6  0.3280  0.0294  0.2719  1.0
]