data_[In2Sn2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.2157]
_cell_length_b [9.7914]
_cell_length_c [8.0486]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [InSnCl3]
_chemical_formula_sum '[In2 Sn2 Cl6]'
_cell_volume [332.2267]
_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  0.5000  0.0000  0.0613  1.0
  Sn  Sn1  2  0.0000  0.0000  0.4849  1.0
  Cl  Cl2  4  0.5000  0.1923  0.5082  1.0
  Cl  Cl3  2  0.0000  0.0000  0.8094  1.0
]