data_[Ir4Au4N20Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ir  2.2000  1.3500  0.7650
  Au  2.5400  1.3500  1.0700
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0761]
_cell_length_b [8.2075]
_cell_length_c [11.8976]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3201]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [IrAuN5Cl6]
_chemical_formula_sum '[Ir4 Au4 N20 Cl24]'
_cell_volume [1271.5423]
_cell_formula_units_Z [4]
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
[
  Ir  Ir0  4  0.2336  0.5000  0.2494  1
  Au  Au1  2  0.0000  0.0000  0.0000  1
  Au  Au2  2  0.0000  0.5000  0.5000  1
  N  N3  8  0.1342  0.1571  0.7638  1
  N  N4  8  0.1677  0.3329  0.2897  1
  N  N5  4  0.1816  0.5000  0.0879  1
  Cl  Cl6  4  0.0000  0.2834  0.0000  1
  Cl  Cl7  4  0.0078  0.5000  0.3080  1
  Cl  Cl8  4  0.0750  0.0000  0.7663  1
  Cl  Cl9  4  0.1464  0.0000  0.5389  1
  Cl  Cl10  4  0.1754  0.0000  0.1089  1
  Cl  Cl11  4  0.1768  0.5000  0.5832  1
]