data_[Cd4In2Hg8]
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 [6.3640]
_cell_length_b [3.4735]
_cell_length_c [16.1891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2553]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cd2InHg4]
_chemical_formula_sum '[Cd4 In2 Hg8]'
_cell_volume [357.7837]
_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  0.2219  0.5000  0.6218  1
  Cd  Cd1  2  0.2291  0.5000  0.9011  1
  In  In2  2  0.1950  0.5000  0.3353  1
  Hg  Hg3  2  0.0441  0.0000  0.0429  1
  Hg  Hg4  2  0.0518  0.0000  0.7611  1
  Hg  Hg5  2  0.3720  0.0000  0.1870  1
  Hg  Hg6  2  0.3875  0.0000  0.4828  1
]