data_[Cd24In32Hg2]
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 [11.3700]
_cell_length_b [16.1246]
_cell_length_c [9.8489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2531]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cd12In16Hg]
_chemical_formula_sum '[Cd24 In32 Hg2]'
_cell_volume [1474.5380]
_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  4  0.0019  0.8094  0.1883  1
  Cd  Cd1  4  0.2194  0.4070  0.0004  1
  Cd  Cd2  4  0.2805  0.0942  0.3774  1
  Cd  Cd3  4  0.3105  0.3098  0.8101  1
  Cd  Cd4  4  0.4060  0.4053  0.6277  1
  Cd  Cd5  2  0.1919  0.0000  0.8122  1
  Cd  Cd6  2  0.3752  0.0000  0.1865  1
  In  In7  4  0.0638  0.3458  0.4103  1
  In  In8  4  0.1531  0.1541  0.5888  1
  In  In9  4  0.1711  0.1692  0.0005  1
  In  In10  4  0.2963  0.2962  0.3119  1
  In  In11  4  0.4521  0.1370  0.9973  1
  In  In12  4  0.4837  0.2032  0.6903  1
  In  In13  2  0.0007  0.0000  0.9966  1
  In  In14  2  0.1563  0.5000  0.6642  1
  In  In15  2  0.1919  0.5000  0.2839  1
  In  In16  2  0.5000  0.5000  0.3331  1
  Hg  Hg17  2  0.4074  0.0000  0.7177  1
]