data_[K1Zr1Ag2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Zr  1.3300  1.5500  0.8600
  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 [7.2936]
_cell_length_b [7.5737]
_cell_length_c [9.8909]
_cell_angle_alpha [82.8503]
_cell_angle_beta [70.3674]
_cell_angle_gamma [83.5523]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KZr(AgI4)2]
_chemical_formula_sum '[K1 Zr1 Ag2 I8]'
_cell_volume [509.1495]
_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  0.5000  0.0000  0.5000  1.0
  Zr  Zr1  1  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  2  0.0551  0.4596  0.2898  1.0
  I  I3  2  0.0268  0.0817  0.2748  1.0
  I  I4  2  0.2125  0.6552  0.0248  1.0
  I  I5  2  0.2840  0.4814  0.4754  1.0
  I  I6  2  0.3611  0.1462  0.8516  1.0
]