data_[Fe2Ir2Ru4]
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 [Cm]
_cell_length_a [8.8722]
_cell_length_b [2.7026]
_cell_length_c [4.6275]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4490]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [FeIrRu2]
_chemical_formula_sum '[Fe2 Ir2 Ru4]'
_cell_volume [109.1177]
_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  0.0004  0.5000  0.5008  1.0
  Ir  Ir1  2  0.2488  0.0000  0.7436  1.0
  Ru  Ru2  2  0.2508  0.5000  0.2493  1.0
  Ru  Ru3  2  0.5000  0.5000  0.0063  1.0
]