data_[Ba4Cd6Hg12]
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 [Cmmm]
_cell_length_a [10.4878]
_cell_length_b [14.0741]
_cell_length_c [4.6162]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ba2(CdHg2)3]
_chemical_formula_sum '[Ba4 Cd6 Hg12]'
_cell_volume [681.3795]
_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  4  0.2095  0.5000  0.0000  1
  Cd  Cd1  4  0.0000  0.2424  0.0000  1
  Cd  Cd2  2  0.0000  0.0000  0.5000  1
  Hg  Hg3  8  0.1708  0.1657  0.5000  1
  Hg  Hg4  4  0.0000  0.3800  0.5000  1
]