data_[Sb2H2I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  H  2.2000  0.2500  0.0000
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.3996]
_cell_length_b [8.2605]
_cell_length_c [8.6868]
_cell_angle_alpha [92.3589]
_cell_angle_beta [93.8145]
_cell_angle_gamma [103.9754]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SbHI2]
_chemical_formula_sum '[Sb2 H2 I4]'
_cell_volume [305.1434]
_cell_formula_units_Z [2]
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
[
  Sb  Sb0  1  0.2427  0.0447  0.5233  1
  Sb  Sb1  1  0.8400  0.6600  0.8247  1
  H  H2  1  0.6416  0.1468  0.5571  1
  H  H3  1  0.8619  0.6319  0.0217  1
  I  I4  1  0.1872  0.2164  0.2594  1
  I  I5  1  0.2320  0.3909  0.8112  1
  I  I6  1  0.4000  0.7582  0.4036  1
  I  I7  1  0.4824  0.9171  0.9058  1
]