data_[In4Sn4Cl20]
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 [C2/c]
_cell_length_a [6.8313]
_cell_length_b [13.7775]
_cell_length_c [9.5296]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.5087]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [InSnCl5]
_chemical_formula_sum '[In4 Sn4 Cl20]'
_cell_volume [889.2094]
_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  0.0000  0.0000  0.0000  1
  Sn  Sn1  4  0.0000  0.4770  0.2500  1
  Cl  Cl2  8  0.1934  0.4020  0.0203  1
  Cl  Cl3  8  0.2170  0.1375  0.6101  1
  Cl  Cl4  4  0.0000  0.0819  0.2500  1
]