data_[K2Sb2I2F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.5070]
_cell_length_b [7.7050]
_cell_length_c [9.4113]
_cell_angle_alpha [108.8819]
_cell_angle_beta [99.5488]
_cell_angle_gamma [105.4557]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KSbIF3]
_chemical_formula_sum '[K2 Sb2 I2 F6]'
_cell_volume [286.4350]
_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  2  0.0316  0.6982  0.3791  1.0
  Sb  Sb1  2  0.3020  0.1711  0.2167  1.0
  I  I2  2  0.4405  0.7672  0.0796  1.0
  F  F3  2  0.2239  0.7408  0.6888  1.0
  F  F4  2  0.2836  0.1209  0.4142  1.0
  F  F5  2  0.3961  0.4607  0.3219  1.0
]