data_[K1Ag2I1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8293]
_cell_length_b [7.8957]
_cell_length_c [7.4864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0476]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KAg2ICl8]
_chemical_formula_sum '[K1 Ag2 I1 Cl8]'
_cell_volume [403.6804]
_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  0.0000  0.5000  0.0000  1.0
  Ag  Ag1  2  0.5000  0.2505  0.5000  1.0
  I  I2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.2356  0.2133  0.1321  1.0
  Cl  Cl4  2  0.3091  0.5000  0.6286  1.0
  Cl  Cl5  2  0.3127  0.0000  0.6233  1.0
]