data_[Cd4Ir496]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [19.3816]
_cell_length_b [19.3816]
_cell_length_c [19.3816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [CdIr124]
_chemical_formula_sum '[Cd4 Ir496]'
_cell_volume [7280.6091]
_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
[
  Cd  Cd0  4  0.0000  0.0000  0.0000  1
  Ir  Ir1  96  0.0000  0.0999  0.3000  1
  Ir  Ir2  96  0.1001  0.1001  0.2001  1
  Ir  Ir3  96  0.1001  0.1999  0.6999  1
  Ir  Ir4  48  0.0000  0.1020  0.1020  1
  Ir  Ir5  48  0.0000  0.2007  0.2007  1
  Ir  Ir6  32  0.1000  0.1000  0.4000  1
  Ir  Ir7  32  0.2000  0.2000  0.8000  1
  Ir  Ir8  24  0.0000  0.0000  0.1994  1
  Ir  Ir9  24  0.0000  0.0000  0.4001  1
]