data_[Cs1Ag2Ir1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ag  1.9300  1.6000  1.0867
  Ir  2.2000  1.3500  0.7650
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4042]
_cell_length_b [6.8916]
_cell_length_c [8.5817]
_cell_angle_alpha [77.4741]
_cell_angle_beta [84.1195]
_cell_angle_gamma [89.4913]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsAg2IrCl8]
_chemical_formula_sum '[Cs1 Ag2 Ir1 Cl8]'
_cell_volume [367.7627]
_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
[
  Cs  Cs0  1  0.0000  0.5000  0.5000  1.0
  Ag  Ag1  2  0.4310  0.9994  0.7077  1.0
  Ir  Ir2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.1161  0.0113  0.2498  1.0
  Cl  Cl4  2  0.2464  0.2462  0.8692  1.0
  Cl  Cl5  2  0.2537  0.7646  0.9623  1.0
  Cl  Cl6  2  0.4918  0.7321  0.5457  1.0
]