data_[Fe16Ir24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [9.1368]
_cell_length_b [12.7443]
_cell_length_c [4.7209]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Fe2Ir3]
_chemical_formula_sum '[Fe16 Ir24]'
_cell_volume [549.7173]
_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
[
  Fe  Fe0  16  0.0263  0.2033  0.8778  1
  Ir  Ir1  16  0.0495  0.0985  0.4114  1
  Ir  Ir2  8  0.0000  0.0000  0.9216  1
]