data_[Fe2Ir8Ru6]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7132]
_cell_length_b [2.7188]
_cell_length_c [4.6837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7106]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [FeIr4Ru3]
_chemical_formula_sum '[Fe2 Ir8 Ru6]'
_cell_volume [224.7989]
_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  0.5000  0.0000  1.0
  Ir  Ir1  4  0.1232  0.0000  0.8776  1.0
  Ir  Ir2  4  0.1247  0.5000  0.3760  1.0
  Ru  Ru3  4  0.2484  0.5000  0.7518  1.0
  Ru  Ru4  2  0.0000  0.0000  0.5000  1.0
]