data_[In2C2I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  C  2.5500  0.7000  0.3000
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.0733]
_cell_length_b [14.6385]
_cell_length_c [4.1499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2005]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [InCI2]
_chemical_formula_sum '[In2 C2 I4]'
_cell_volume [281.1130]
_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  0.2116  0.0000  0.2973  1
  C  C1  2  0.0050  0.0000  0.6937  1
  I  I2  4  0.2287  0.3653  0.5515  1
]