data_[Fe4Ni4Ir14]
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 [6.8084]
_cell_length_b [7.1066]
_cell_length_c [6.2751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9820]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Fe2Ni2Ir7]
_chemical_formula_sum '[Fe4 Ni4 Ir14]'
_cell_volume [299.0221]
_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  0.1040  0.5000  0.3497  1
  Ni  Ni1  4  0.0000  0.3111  0.0000  1
  Ir  Ir2  8  0.2201  0.3099  0.6937  1
  Ir  Ir3  4  0.1726  0.0000  0.9312  1
  Ir  Ir4  2  0.0000  0.0000  0.5000  1
]