data_[Fe2Ir8]
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 [P2_1/c]
_cell_length_a [4.7314]
_cell_length_b [4.7495]
_cell_length_c [6.9361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8009]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [FeIr4]
_chemical_formula_sum '[Fe2 Ir8]'
_cell_volume [144.7184]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1
  Ir  Ir1  4  0.2055  0.5621  0.9070  1
  Ir  Ir2  4  0.4112  0.0805  0.8055  1
]