data_[K1Li1Sn2F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Sn  1.9600  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.7684]
_cell_length_b [6.3024]
_cell_length_c [6.4059]
_cell_angle_alpha [65.3522]
_cell_angle_beta [65.1361]
_cell_angle_gamma [88.6435]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KLiSn2F6]
_chemical_formula_sum '[K1 Li1 Sn2 F6]'
_cell_volume [188.7695]
_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  0.2063  0.8064  0.5373  1.0
  Li  Li1  1  0.6096  0.2633  0.7181  1.0
  Sn  Sn2  1  0.4865  0.5406  0.0265  1.0
  Sn  Sn3  1  0.9744  0.0423  0.0044  1.0
  F  F4  1  0.1270  0.6658  0.0394  1.0
  F  F5  1  0.3320  0.1590  0.6664  1.0
  F  F6  1  0.3468  0.1922  0.0880  1.0
  F  F7  1  0.5663  0.6078  0.6495  1.0
  F  F8  1  0.8025  0.9926  0.7774  1.0
  F  F9  1  0.8871  0.3917  0.8163  1.0
]