data_[Ba4Cd10Hg8]
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 [Immm]
_cell_length_a [6.2382]
_cell_length_b [10.1882]
_cell_length_c [10.3940]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ba2Cd5Hg4]
_chemical_formula_sum '[Ba4 Cd10 Hg8]'
_cell_volume [660.5967]
_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  0.0000  0.2606  0.0000  1.0
  Cd  Cd1  8  0.2433  0.0000  0.2371  1.0
  Cd  Cd2  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg3  8  0.0000  0.2615  0.3432  1.0
]