data_[Ir2Ru10]
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 [Pmmn]
_cell_length_a [3.8125]
_cell_length_b [8.1517]
_cell_length_c [5.4215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [IrRu5]
_chemical_formula_sum '[Ir2 Ru10]'
_cell_volume [168.4919]
_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
[
  Ru  Ru0  4  0.0000  0.1665  0.1270  1
  Ru  Ru1  4  0.0000  0.1678  0.6235  1
  Ir  Ir2  2  0.0000  0.5000  0.1246  1
  Ru  Ru3  2  0.0000  0.5000  0.6260  1
]