data_[K1In2Si1F8]
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
  Si  1.9000  1.1000  0.5400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4576]
_cell_length_b [5.5436]
_cell_length_c [6.7723]
_cell_angle_alpha [96.1956]
_cell_angle_beta [95.0530]
_cell_angle_gamma [90.4442]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KIn2SiF8]
_chemical_formula_sum '[K1 In2 Si1 F8]'
_cell_volume [202.8737]
_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
  In  In1  2  0.4916  0.4766  0.2231  1
  Si  Si2  1  0.0000  0.0000  0.0000  1
  F  F3  2  0.0536  0.7542  0.1260  1
  F  F4  2  0.1817  0.1797  0.1905  1
  F  F5  2  0.2518  0.9395  0.8722  1
  F  F6  2  0.3387  0.6627  0.4981  1
]