data_[Sb2H4I2]
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 [4.2544]
_cell_length_b [7.7561]
_cell_length_c [8.7855]
_cell_angle_alpha [66.7054]
_cell_angle_beta [76.6018]
_cell_angle_gamma [74.7071]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SbH2I]
_chemical_formula_sum '[Sb2 H4 I2]'
_cell_volume [254.1717]
_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  0.4188  0.3859  0.1913  1.0
  Sb  Sb1  1  0.7794  0.5042  0.3636  1.0
  H  H2  1  0.0561  0.9552  0.3144  1.0
  H  H3  1  0.1051  0.9410  0.2313  1.0
  H  H4  1  0.2668  0.4940  0.7799  1.0
  H  H5  1  0.2932  0.3982  0.7708  1.0
  I  I6  1  0.0403  0.1457  0.5953  1.0
  I  I7  1  0.5582  0.7438  0.9590  1.0
]