data_[In6Sn2Cl8]
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 [Pmn2_1]
_cell_length_a [9.0547]
_cell_length_b [9.1114]
_cell_length_c [6.1450]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [In3SnCl4]
_chemical_formula_sum '[In6 Sn2 Cl8]'
_cell_volume [506.9650]
_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  4  0.2210  0.8809  0.4208  1
  In  In1  2  0.0000  0.1240  0.2292  1
  Sn  Sn2  2  0.0000  0.6133  0.9909  1
  Cl  Cl3  4  0.2070  0.3088  0.5721  1
  Cl  Cl4  2  0.0000  0.6464  0.4204  1
  Cl  Cl5  2  0.0000  0.8882  0.8586  1
]