data_[Cd16In2Hg10]
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 [I-4]
_cell_length_a [8.9136]
_cell_length_b [8.9136]
_cell_length_c [8.8933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Cd8InHg5]
_chemical_formula_sum '[Cd16 In2 Hg10]'
_cell_volume [706.5903]
_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  8  0.0822  0.3328  0.4506  1.0
  Cd  Cd1  8  0.0848  0.1640  0.7882  1.0
  In  In2  2  0.0000  0.5000  0.7500  1.0
  Hg  Hg3  8  0.1264  0.2467  0.1199  1.0
  Hg  Hg4  2  0.0000  0.0000  0.5000  1.0
]