data_[Fe3Ni24Ir18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Ni  1.9100  1.3500  0.7400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.5468]
_cell_length_b [6.5468]
_cell_length_c [15.5195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Fe(Ni4Ir3)2]
_chemical_formula_sum '[Fe3 Ni24 Ir18]'
_cell_volume [576.0642]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Ni  Ni1  18  0.0626  0.8104  0.1373  1
  Ni  Ni2  6  0.0000  0.0000  0.4242  1
  Ir  Ir3  18  0.0290  0.2554  0.7064  1
]