data_[Fe4Ni6Ir4]
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/m]
_cell_length_a [8.3201]
_cell_length_b [3.6513]
_cell_length_c [5.7241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.6533]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Fe2Ni3Ir2]
_chemical_formula_sum '[Fe4 Ni6 Ir4]'
_cell_volume [172.3433]
_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  4  0.0737  0.5000  0.7249  1
  Ni  Ni1  4  0.2136  0.5000  0.1334  1
  Ni  Ni2  2  0.0000  0.0000  0.0000  1
  Ir  Ir3  4  0.1410  0.0000  0.4225  1
]