data_[K2Sc2Ag4F12]
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 [P2_1/c]
_cell_length_a [6.0903]
_cell_length_b [6.2787]
_cell_length_c [10.5680]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4547]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KScAg2F6]
_chemical_formula_sum '[K2 Sc2 Ag4 F12]'
_cell_volume [333.2203]
_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  0.5000  0.0000  0.0000  1.0
  Sc  Sc1  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag2  4  0.2708  0.5334  0.7681  1.0
  F  F3  4  0.1061  0.6082  0.2110  1.0
  F  F4  4  0.2292  0.2324  0.0967  1.0
  F  F5  4  0.3235  0.6442  0.0280  1.0
]