data_[K1S5F1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  S  2.5800  1.0000  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.2912]
_cell_length_b [6.2674]
_cell_length_c [8.4338]
_cell_angle_alpha [102.9557]
_cell_angle_beta [102.1395]
_cell_angle_gamma [108.3212]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KS5F]
_chemical_formula_sum '[K1 S5 F1]'
_cell_volume [199.9513]
_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  0.4047  0.6762  0.4939  1
  S  S1  1  0.0623  0.4558  0.8244  1
  S  S2  1  0.3857  0.2078  0.1504  1
  S  S3  1  0.5785  0.2759  0.7071  1
  S  S4  1  0.7170  0.0818  0.2879  1
  S  S5  1  0.9116  0.9505  0.1013  1
  F  F6  1  0.0016  0.8827  0.4963  1
]