data_[Cd2In32Hg24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cm]
_cell_length_a [11.5224]
_cell_length_b [16.3172]
_cell_length_c [9.9391]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9619]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cd(In4Hg3)4]
_chemical_formula_sum '[Cd2 In32 Hg24]'
_cell_volume [1531.4471]
_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
[
  Cd  Cd0  2  0.3043  0.0000  0.7145  1
  In  In1  4  0.0122  0.3065  0.3164  1
  In  In2  4  0.0420  0.3720  0.0043  1
  In  In3  4  0.2119  0.2034  0.6860  1
  In  In4  4  0.3277  0.3254  0.0106  1
  In  In5  4  0.3481  0.3406  0.4095  1
  In  In6  4  0.4347  0.1420  0.5768  1
  In  In7  2  0.0012  0.0000  0.6536  1
  In  In8  2  0.1113  0.5000  0.3141  1
  In  In9  2  0.3268  0.0000  0.3090  1
  In  In10  2  0.4922  0.5000  0.9987  1
  Hg  Hg11  4  0.0074  0.2088  0.7997  1
  Hg  Hg12  4  0.0981  0.0957  0.3799  1
  Hg  Hg13  4  0.1718  0.1949  0.1774  1
  Hg  Hg14  4  0.2452  0.4006  0.6560  1
  Hg  Hg15  4  0.2692  0.0938  0.9870  1
  Hg  Hg16  2  0.1148  0.5000  0.8122  1
  Hg  Hg17  2  0.3125  0.5000  0.1905  1
]