data_[K1Ti1Sn2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ti  1.5400  1.4000  0.8517
  Sn  1.9600  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.4508]
_cell_length_b [8.5550]
_cell_length_c [6.6518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.0295]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KTi(SnCl4)2]
_chemical_formula_sum '[K1 Ti1 Sn2 Cl8]'
_cell_volume [366.8617]
_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
[
  K  K0  1  0.0000  0.5000  0.0000  1.0
  Ti  Ti1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.5000  0.2440  0.5000  1.0
  Cl  Cl3  4  0.2243  0.2055  0.1547  1.0
  Cl  Cl4  2  0.2184  0.0000  0.7097  1.0
  Cl  Cl5  2  0.2831  0.5000  0.6337  1.0
]