data_[Ti1In1Sn2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  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 [P-1]
_cell_length_a [6.5608]
_cell_length_b [6.6398]
_cell_length_c [8.7462]
_cell_angle_alpha [89.3679]
_cell_angle_beta [83.5946]
_cell_angle_gamma [88.1106]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TiIn(SnCl4)2]
_chemical_formula_sum '[Ti1 In1 Sn2 Cl8]'
_cell_volume [378.4123]
_cell_formula_units_Z [1]
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
[
  Ti  Ti0  1  0.0000  0.0000  0.0000  1.0
  In  In1  1  0.0000  0.0000  0.5000  1.0
  Sn  Sn2  2  0.4588  0.4927  0.7594  1.0
  Cl  Cl3  2  0.2088  0.3075  0.9803  1.0
  Cl  Cl4  2  0.2157  0.8662  0.1791  1.0
  Cl  Cl5  2  0.2280  0.8439  0.7819  1.0
  Cl  Cl6  2  0.2743  0.3663  0.5382  1.0
]