data_[In2Sb2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.3276]
_cell_length_b [11.0439]
_cell_length_c [11.3611]
_cell_angle_alpha [77.8746]
_cell_angle_beta [79.4523]
_cell_angle_gamma [89.9445]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [InSbI3]
_chemical_formula_sum '[In2 Sb2 I6]'
_cell_volume [521.5035]
_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
[
  In  In0  2  0.3631  0.4872  0.8092  1
  Sb  Sb1  2  0.2215  0.9296  0.0601  1
  I  I2  2  0.0671  0.3823  0.3470  1
  I  I3  2  0.2708  0.6695  0.9656  1
  I  I4  2  0.3930  0.2730  0.7119  1
]