data_[Cd2Hg8As4I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
  As  2.1800  1.1500  0.6600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [8.2233]
_cell_length_b [13.4281]
_cell_length_c [8.3155]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1416]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [CdHg4(AsI2)2]
_chemical_formula_sum '[Cd2 Hg8 As4 I8]'
_cell_volume [817.1131]
_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  0.0006  0.6642  0.9980  1
  Hg  Hg1  2  0.0274  0.9502  0.4259  1
  Hg  Hg2  2  0.3262  0.2093  0.6678  1
  Hg  Hg3  2  0.4747  0.4785  0.5523  1
  Hg  Hg4  2  0.4867  0.4449  0.0540  1
  As  As5  2  0.3102  0.3974  0.7177  1
  As  As6  2  0.3487  0.0206  0.6267  1
  I  I7  2  0.1140  0.9597  0.0646  1
  I  I8  2  0.1196  0.6918  0.3699  1
  I  I9  2  0.2916  0.6873  0.9116  1
  I  I10  2  0.3240  0.2574  0.2561  1
]