data_[K1Sc2Ag1I8]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.9633]
_cell_length_b [8.3933]
_cell_length_c [8.6301]
_cell_angle_alpha [83.9094]
_cell_angle_beta [89.1858]
_cell_angle_gamma [70.5460]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KSc2AgI8]
_chemical_formula_sum '[K1 Sc2 Ag1 I8]'
_cell_volume [540.6848]
_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  0.0000  0.0000  0.5000  1.0
  Sc  Sc1  2  0.0192  0.4947  0.7556  1.0
  Ag  Ag2  1  0.0000  0.0000  0.0000  1.0
  I  I3  2  0.1910  0.7406  0.2140  1.0
  I  I4  2  0.2215  0.2875  0.0340  1.0
  I  I5  2  0.2245  0.3032  0.5017  1.0
  I  I6  2  0.2559  0.6741  0.7458  1.0
]