data_[K4Sc4Ag4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sc  1.3600  1.6000  0.8850
  Ag  1.9300  1.6000  1.0867
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.6992]
_cell_length_b [10.6881]
_cell_length_c [7.8075]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6738]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KScAgF5]
_chemical_formula_sum '[K4 Sc4 Ag4 F20]'
_cell_volume [547.4643]
_cell_formula_units_Z [4]
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  0.0000  0.3361  0.2500  1
  Sc  Sc1  4  0.0000  0.0000  0.0000  1
  Ag  Ag2  4  0.0000  0.3338  0.7500  1
  F  F3  8  0.1066  0.1698  0.5861  1
  F  F4  8  0.2070  0.4416  0.9783  1
  F  F5  4  0.0000  0.0653  0.2500  1
]