data_[K4Sc4Ag4I20]
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 [C2/c]
_cell_length_a [9.6802]
_cell_length_b [13.4619]
_cell_length_c [11.0537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1873]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KScAgI5]
_chemical_formula_sum '[K4 Sc4 Ag4 I20]'
_cell_volume [1343.0811]
_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  0.3569  0.7500  1
  Sc  Sc1  4  0.0000  0.0000  0.0000  1
  Ag  Ag2  4  0.0000  0.3121  0.2500  1
  I  I3  8  0.1169  0.1928  0.1001  1
  I  I4  8  0.1977  0.4349  0.4495  1
  I  I5  4  0.0000  0.0765  0.7500  1
]