data_[Ag6Ir2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2_1/c]
_cell_length_a [6.6828]
_cell_length_b [6.6816]
_cell_length_c [12.0359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.0515]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ag3IrCl6]
_chemical_formula_sum '[Ag6 Ir2 Cl12]'
_cell_volume [450.4574]
_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
[
  Ag  Ag0  4  0.2530  0.5553  0.2639  1.0
  Ag  Ag1  2  0.5000  0.0000  0.5000  1.0
  Ir  Ir2  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.0763  0.7046  0.9192  1.0
  Cl  Cl4  4  0.2416  0.1720  0.9432  1.0
  Cl  Cl5  4  0.3352  0.5768  0.7141  1.0
]