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 [P1]
_cell_length_a [5.8778]
_cell_length_b [7.4539]
_cell_length_c [8.1020]
_cell_angle_alpha [91.8982]
_cell_angle_beta [92.0917]
_cell_angle_gamma [91.4892]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [InSnCl3]
_chemical_formula_sum '[In2 Sn2 Cl6]'
_cell_volume [354.4027]
_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  1  0.4280  0.4231  0.3479  1
  In  In1  1  0.4324  0.9236  0.8399  1
  Sn  Sn2  1  0.8395  0.9464  0.2686  1
  Sn  Sn3  1  0.8527  0.4516  0.7630  1
  Cl  Cl4  1  0.4142  0.5001  0.7473  1
  Cl  Cl5  1  0.4292  0.8267  0.2128  1
  Cl  Cl6  1  0.7072  0.1218  0.5387  1
  Cl  Cl7  1  0.7378  0.2261  0.0871  1
  Cl  Cl8  1  0.8752  0.5972  0.4710  1
  Cl  Cl9  1  0.9002  0.7738  0.9144  1
]