data_[Ba4Cd4Hg4I16]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7714]
_cell_length_b [10.2840]
_cell_length_c [8.5201]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5060]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaCdHgI4]
_chemical_formula_sum '[Ba4 Cd4 Hg4 I16]'
_cell_volume [1530.2586]
_cell_formula_units_Z [4]
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  0.2441  0.5000  0.6461  1.0
  Cd  Cd1  4  0.1795  0.5000  0.0799  1.0
  Hg  Hg2  4  0.0654  0.0000  0.4213  1.0
  I  I3  8  0.1512  0.2974  0.2841  1.0
  I  I4  4  0.0821  0.5000  0.7426  1.0
  I  I5  4  0.1698  0.0000  0.9127  1.0
]