data_[K6In2F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3089]
_cell_length_b [6.5582]
_cell_length_c [10.9227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6223]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K3InF6]
_chemical_formula_sum '[K6 In2 F12]'
_cell_volume [371.9037]
_cell_formula_units_Z [2]
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  4  0.2718  0.5525  0.2554  1.0
  K  K1  2  0.5000  0.0000  0.5000  1.0
  In  In2  2  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.1096  0.5545  0.7198  1.0
  F  F4  4  0.2378  0.2365  0.5699  1.0
  F  F5  4  0.3179  0.6764  0.5469  1.0
]