data_[In4I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.0262]
_cell_length_b [6.3134]
_cell_length_c [12.4172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5313]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [InI3]
_chemical_formula_sum '[In4 I12]'
_cell_volume [749.4843]
_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
[
  In  In0  4  0.2054  0.5012  0.5503  1
  I  I1  4  0.0007  0.2318  0.8799  1
  I  I2  4  0.3343  0.2373  0.7174  1
  I  I3  4  0.3359  0.7355  0.9468  1
]