data_[Ba2Cd4Hg8]
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 [9.2129]
_cell_length_b [7.3429]
_cell_length_c [6.6263]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7063]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba(CdHg2)2]
_chemical_formula_sum '[Ba2 Cd4 Hg8]'
_cell_volume [400.4457]
_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  1.0
  Cd  Cd1  4  0.0143  0.5000  0.7877  1.0
  Hg  Hg2  8  0.1810  0.2051  0.6643  1.0
]