data_[In2I3Cl3]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.9673]
_cell_length_b [9.2831]
_cell_length_c [21.8770]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [In2(ICl)3]
_chemical_formula_sum '[In2 I3 Cl3]'
_cell_volume [805.7057]
_cell_formula_units_Z [1]
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  1  0.1157  0.0000  0.3673  1
  In  In1  1  0.9159  0.5000  0.6255  1
  I  I2  2  0.9172  0.2421  0.6792  1
  I  I3  1  0.1116  0.5000  0.3648  1
  Cl  Cl4  2  0.6152  0.1892  0.3665  1
  Cl  Cl5  1  0.4169  0.5000  0.5511  1
]