data_[Cr16Ir24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [9.1568]
_cell_length_b [12.7734]
_cell_length_c [4.6642]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Cr2Ir3]
_chemical_formula_sum '[Cr16 Ir24]'
_cell_volume [545.5394]
_cell_formula_units_Z [8]
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
[
  Cr  Cr0  16  0.0318  0.2038  0.8857  1
  Ir  Ir1  16  0.0458  0.1011  0.4068  1
  Ir  Ir2  8  0.0000  0.0000  0.9150  1
]