data_[Hg4Sb4I8]
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 [8.7986]
_cell_length_b [10.0873]
_cell_length_c [9.0929]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6449]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [HgSbI2]
_chemical_formula_sum '[Hg4 Sb4 I8]'
_cell_volume [750.1240]
_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  0.1856  0.6479  0.4886  1
  Sb  Sb1  4  0.4688  0.6292  0.4287  1
  I  I2  4  0.0347  0.1747  0.8603  1
  I  I3  4  0.3360  0.5062  0.1340  1
]