data_[K2Ca2Ag2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ca  1.0000  1.8000  1.1400
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.5982]
_cell_length_b [8.3526]
_cell_length_c [9.5632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5421]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KCaAgI4]
_chemical_formula_sum '[K2 Ca2 Ag2 I8]'
_cell_volume [578.7029]
_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  0.2020  0.2500  0.0425  1.0
  Ca  Ca1  2  0.2181  0.2500  0.5570  1.0
  Ag  Ag2  2  0.2359  0.7500  0.3284  1.0
  I  I3  4  0.0230  0.5099  0.7163  1.0
  I  I4  2  0.4607  0.7500  0.1421  1.0
  I  I5  2  0.4935  0.7500  0.6110  1.0
]