data_[K2Y2Ag2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Y  1.2200  1.8000  1.0400
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.2877]
_cell_length_b [12.7663]
_cell_length_c [7.8250]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0577]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [KYAgI6]
_chemical_formula_sum '[K2 Y2 Ag2 I12]'
_cell_volume [823.2863]
_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  0.0000  0.0133  0.5000  1.0
  Y  Y1  2  0.0000  0.6806  0.0000  1.0
  Ag  Ag2  2  0.0000  0.3323  0.0000  1.0
  I  I3  4  0.1112  0.4938  0.2318  1.0
  I  I4  4  0.1812  0.8137  0.2620  1.0
  I  I5  4  0.1908  0.1783  0.1879  1.0
]