data_[K8Ba4Ag4I20]
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 [Cmc2_1]
_cell_length_a [4.9153]
_cell_length_b [21.4843]
_cell_length_c [15.2891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2BaAgI5]
_chemical_formula_sum '[K8 Ba4 Ag4 I20]'
_cell_volume [1614.5553]
_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  0.1076  0.6823  1.0
  K  K1  4  0.0000  0.1085  0.3461  1.0
  Ba  Ba2  4  0.0000  0.1941  0.0302  1.0
  Ag  Ag3  4  0.0000  0.4436  0.4214  1.0
  I  I4  4  0.0000  0.0325  0.0156  1.0
  I  I5  4  0.0000  0.2968  0.6884  1.0
  I  I6  4  0.0000  0.3113  0.3685  1.0
  I  I7  4  0.0000  0.3537  0.0145  1.0
  I  I8  4  0.0000  0.4962  0.7569  1.0
]