data_[Hg8Sb4I12]
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 [P2_1/c]
_cell_length_a [10.9376]
_cell_length_b [9.0655]
_cell_length_c [11.4591]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8401]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Hg2SbI3]
_chemical_formula_sum '[Hg8 Sb4 I12]'
_cell_volume [1054.6680]
_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  4  0.0451  0.1790  0.5356  1
  Hg  Hg1  4  0.4816  0.1620  0.9416  1
  Sb  Sb2  4  0.2187  0.7379  0.5033  1
  I  I3  4  0.1403  0.0417  0.8727  1
  I  I4  4  0.2649  0.6149  0.7458  1
  I  I5  4  0.3086  0.0710  0.5881  1
]