data_[Ir20Os8Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ir  2.2000  1.3500  0.7650
  Os  2.2000  1.3000  0.6730
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.5897]
_cell_length_b [6.5897]
_cell_length_c [11.2496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Ir5Os2Ru]
_chemical_formula_sum '[Ir20 Os8 Ru4]'
_cell_volume [488.5106]
_cell_formula_units_Z [4]
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
[
  Ir  Ir0  16  0.1461  0.3539  0.3293  1
  Os  Os1  8  0.1353  0.6353  0.5000  1
  Ir  Ir2  4  0.0000  0.0000  0.0000  1
  Ru  Ru3  4  0.0000  0.0000  0.2500  1
]