data_[Ba1Ag2Ir1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [6.1264]
_cell_length_b [6.7758]
_cell_length_c [8.5144]
_cell_angle_alpha [91.6077]
_cell_angle_beta [92.1982]
_cell_angle_gamma [111.7228]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaAg2IrCl8]
_chemical_formula_sum '[Ba1 Ag2 Ir1 Cl8]'
_cell_volume [327.7653]
_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
[
  Ba  Ba0  1  0.0000  0.0000  0.5000  1.0
  Ag  Ag1  2  0.0067  0.4910  0.2521  1.0
  Ir  Ir2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.2128  0.7786  0.9798  1.0
  Cl  Cl4  2  0.2358  0.2359  0.8214  1.0
  Cl  Cl5  2  0.2603  0.2134  0.2057  1.0
  Cl  Cl6  2  0.2759  0.7013  0.4842  1.0
]