data_[Fe5Ni2Ir4]
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 [P2/m]
_cell_length_a [6.4084]
_cell_length_b [2.6296]
_cell_length_c [8.4143]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6707]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Fe5(NiIr2)2]
_chemical_formula_sum '[Fe5 Ni2 Ir4]'
_cell_volume [141.5032]
_cell_formula_units_Z [1]
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  0.1984  0.0000  0.1679  1
  Fe  Fe1  2  0.4217  0.0000  0.7102  1
  Fe  Fe2  1  0.5000  0.0000  0.0000  1
  Ni  Ni3  2  0.0542  0.0000  0.6354  1
  Ir  Ir4  2  0.1681  0.5000  0.8989  1
  Ir  Ir5  2  0.2961  0.5000  0.4388  1
]