data_[Ba4Cd4In8Hg24]
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/c]
_cell_length_a [9.3674]
_cell_length_b [14.8372]
_cell_length_c [9.5899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.7603]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaCd(InHg3)2]
_chemical_formula_sum '[Ba4 Cd4 In8 Hg24]'
_cell_volume [1179.4526]
_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  0.0000  0.0925  0.7500  1.0
  Cd  Cd1  4  0.0000  0.2988  0.2500  1.0
  In  In2  8  0.2092  0.1554  0.1872  1.0
  Hg  Hg3  8  0.0513  0.3124  0.9521  1.0
  Hg  Hg4  8  0.1145  0.4819  0.1728  1.0
  Hg  Hg5  8  0.1705  0.1171  0.4899  1.0
]