data_[Cd4Hg8Sb4I8]
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
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [16.5119]
_cell_length_b [7.2964]
_cell_length_c [7.8658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [CdHg2SbI2]
_chemical_formula_sum '[Cd4 Hg8 Sb4 I8]'
_cell_volume [947.6423]
_cell_formula_units_Z [4]
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  4  0.0000  0.0280  0.5654  1
  Hg  Hg1  8  0.1663  0.3596  0.2900  1
  Sb  Sb2  4  0.0000  0.2664  0.2904  1
  I  I3  8  0.1567  0.1904  0.7955  1
]