data_[Fe2Ir6Ru4]
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 [P2_1/m]
_cell_length_a [5.3972]
_cell_length_b [3.8114]
_cell_length_c [8.1105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2364]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [FeIr3Ru2]
_chemical_formula_sum '[Fe2 Ir6 Ru4]'
_cell_volume [166.8391]
_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  0.1289  0.7500  0.7513  1.0
  Ru  Ru1  2  0.1208  0.7500  0.0822  1.0
  Ir  Ir2  2  0.1219  0.7500  0.4155  1.0
  Ir  Ir3  2  0.3693  0.2500  0.9158  1.0
  Ru  Ru4  2  0.3745  0.2500  0.5811  1.0
  Ir  Ir5  2  0.3746  0.2500  0.2519  1.0
]