data_[K1Fe1Sb1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Fe  1.8300  1.4000  0.8525
  Sb  2.0500  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1616]
_cell_length_b [5.8315]
_cell_length_c [5.9181]
_cell_angle_alpha [60.9458]
_cell_angle_beta [89.7870]
_cell_angle_gamma [89.6450]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KFeSbF6]
_chemical_formula_sum '[K1 Fe1 Sb1 F6]'
_cell_volume [155.7131]
_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  0.9544  0.0039  0.0009  1.0
  Fe  Fe1  1  0.5095  0.3365  0.3313  1.0
  Sb  Sb2  1  0.4487  0.6698  0.6653  1.0
  F  F3  1  0.3122  0.0442  0.6497  1.0
  F  F4  1  0.3154  0.2912  0.0632  1.0
  F  F5  1  0.3267  0.6720  0.2935  1.0
  F  F6  1  0.7091  0.4187  0.5982  1.0
  F  F7  1  0.7106  0.9577  0.4351  1.0
  F  F8  1  0.7135  0.6062  0.9627  1.0
]