data_[Ba2Cd16In2Hg4]
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
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1113]
_cell_length_b [5.8873]
_cell_length_c [9.8166]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6659]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaCd8InHg2]
_chemical_formula_sum '[Ba2 Cd16 In2 Hg4]'
_cell_volume [677.1432]
_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  0.5000  1.0
  Cd  Cd1  8  0.1820  0.2485  0.2373  1.0
  Cd  Cd2  4  0.1891  0.5000  0.5057  1.0
  Cd  Cd3  4  0.2130  0.5000  0.9909  1.0
  In  In4  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg5  4  0.0418  0.5000  0.7249  1.0
]