data_[Fe4Ni8Ir8]
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 [C2/c]
_cell_length_a [7.3965]
_cell_length_b [9.3462]
_cell_length_c [4.3058]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2707]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Fe(NiIr)2]
_chemical_formula_sum '[Fe4 Ni8 Ir8]'
_cell_volume [275.4559]
_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
[
  Fe  Fe0  4  0.0000  0.0741  0.7500  1
  Ni  Ni1  4  0.0000  0.1997  0.2500  1
  Ni  Ni2  4  0.0000  0.3363  0.7500  1
  Ir  Ir3  8  0.1960  0.4251  0.3837  1
]