data_[Cd8In20Hg2]
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 [I4/m]
_cell_length_a [11.0091]
_cell_length_b [11.0091]
_cell_length_c [7.0357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Cd4In10Hg]
_chemical_formula_sum '[Cd8 In20 Hg2]'
_cell_volume [852.7268]
_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  0.1003  0.7003  0.5000  1
  In  In1  16  0.0998  0.2004  0.2503  1
  In  In2  4  0.0000  0.5000  0.2500  1
  Hg  Hg3  2  0.0000  0.0000  0.0000  1
]