data_[Ir16Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ir  2.2000  1.3500  0.7650
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [3.8598]
_cell_length_b [3.8598]
_cell_length_c [23.1236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [Ir2Ru]
_chemical_formula_sum '[Ir16 Ru8]'
_cell_volume [344.5044]
_cell_formula_units_Z [8]
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
[
  Ru  Ru0  8  0.0000  0.0000  0.0844  1.0
  Ir  Ir1  8  0.0000  0.0000  0.2506  1.0
  Ir  Ir2  8  0.0000  0.0000  0.4162  1.0
]