data_[K4Ba2Ag4I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1761]
_cell_length_b [9.0124]
_cell_length_c [8.7530]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.6002]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Ba(AgI3)2]
_chemical_formula_sum '[K4 Ba2 Ag4 I12]'
_cell_volume [1051.1043]
_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  4  0.2402  0.5000  0.1771  1.0
  Ba  Ba1  2  0.0000  0.5000  0.5000  1.0
  Ag  Ag2  4  0.0471  0.0000  0.2000  1.0
  I  I3  8  0.0772  0.2465  0.8397  1.0
  I  I4  4  0.2472  0.5000  0.5842  1.0
]