data_[K1In1Sn2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.3202]
_cell_length_b [5.9972]
_cell_length_c [8.1697]
_cell_angle_alpha [95.1172]
_cell_angle_beta [93.9071]
_cell_angle_gamma [93.8643]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KInSn2F8]
_chemical_formula_sum '[K1 In1 Sn2 F8]'
_cell_volume [209.7597]
_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  0.0000  0.5000  1.0
  In  In1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.4890  0.4687  0.2494  1.0
  F  F3  2  0.0139  0.7141  0.7908  1.0
  F  F4  2  0.0590  0.8077  0.1935  1.0
  F  F5  2  0.4489  0.1983  0.0413  1.0
  F  F6  2  0.4874  0.7371  0.5523  1.0
]