data_[Hg20Sb4I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cmcm]
_cell_length_a [6.1798]
_cell_length_b [16.9958]
_cell_length_c [13.7419]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Hg5SbI2]
_chemical_formula_sum '[Hg20 Sb4 I8]'
_cell_volume [1443.3202]
_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
[
  Hg  Hg0  8  0.0000  0.1001  0.0977  1.0
  Hg  Hg1  8  0.0000  0.2989  0.5045  1.0
  Hg  Hg2  4  0.0000  0.2957  0.7500  1.0
  Sb  Sb3  4  0.0000  0.2042  0.2500  1.0
  I  I4  8  0.0000  0.0806  0.6087  1.0
]