data_[Cd24In4Hg12]
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 [Cmc2_1]
_cell_length_a [10.3837]
_cell_length_b [14.5471]
_cell_length_c [6.7985]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cd6InHg3]
_chemical_formula_sum '[Cd24 In4 Hg12]'
_cell_volume [1026.9296]
_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
[
  Cd  Cd0  8  0.1521  0.4401  0.9032  1.0
  Cd  Cd1  8  0.2461  0.2886  0.1571  1.0
  Cd  Cd2  4  0.0000  0.0429  0.7012  1.0
  Cd  Cd3  4  0.0000  0.2630  0.8573  1.0
  In  In4  4  0.0000  0.1811  0.3662  1.0
  Hg  Hg5  8  0.1849  0.0965  0.0281  1.0
  Hg  Hg6  4  0.0000  0.3850  0.4132  1.0
]