data_[Cd2In4Hg2I8]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5863]
_cell_length_b [4.5899]
_cell_length_c [10.1303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2555]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CdIn2HgI4]
_chemical_formula_sum '[Cd2 In4 Hg2 I8]'
_cell_volume [608.2471]
_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  0.0000  0.0000  0.0000  1.0
  In  In1  4  0.1868  0.0000  0.7066  1.0
  Hg  Hg2  2  0.0000  0.5000  0.5000  1.0
  I  I3  4  0.1191  0.5000  0.9399  1.0
  I  I4  4  0.1537  0.0000  0.3133  1.0
]