data_[K2As2I2F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  As  2.1800  1.1500  0.6600
  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 [4.8523]
_cell_length_b [7.7870]
_cell_length_c [8.8798]
_cell_angle_alpha [111.3217]
_cell_angle_beta [97.4490]
_cell_angle_gamma [107.3917]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KAsIF3]
_chemical_formula_sum '[K2 As2 I2 F6]'
_cell_volume [287.3535]
_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  0.0150  0.3370  0.6530  1.0
  As  As1  2  0.3264  0.1617  0.2268  1.0
  I  I2  2  0.4699  0.7752  0.0879  1.0
  F  F3  2  0.2511  0.1233  0.4130  1.0
  F  F4  2  0.2767  0.7264  0.6692  1.0
  F  F5  2  0.3233  0.4150  0.3123  1.0
]