data_[Hg8Sb4I24]
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 [C2/c]
_cell_length_a [15.3355]
_cell_length_b [13.4256]
_cell_length_c [7.9870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0609]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hg2SbI6]
_chemical_formula_sum '[Hg8 Sb4 I24]'
_cell_volume [1635.2257]
_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  0.1881  0.4239  0.3208  1.0
  Sb  Sb1  4  0.0000  0.1023  0.2500  1.0
  I  I2  8  0.1160  0.4059  0.6388  1.0
  I  I3  8  0.1162  0.2455  0.1238  1.0
  I  I4  8  0.1221  0.0817  0.5975  1.0
]