data_[In18Sn6Cl36]
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 [R-3]
_cell_length_a [13.2045]
_cell_length_b [13.2045]
_cell_length_c [14.5373]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [In3SnCl6]
_chemical_formula_sum '[In18 Sn6 Cl36]'
_cell_volume [2195.1246]
_cell_formula_units_Z [6]
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  18  0.0477  0.7631  0.7044  1
  Sn  Sn1  3  0.0000  0.0000  0.0000  1
  Sn  Sn2  3  0.0000  0.0000  0.5000  1
  Cl  Cl3  18  0.0127  0.8519  0.4015  1
  Cl  Cl4  18  0.0465  0.8433  0.8966  1
]