data_[Mo4Ir24Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  Ir  2.2000  1.3500  0.7650
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0013]
_cell_length_b [12.0058]
_cell_length_c [5.0798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9634]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mo(Ir3Ru)2]
_chemical_formula_sum '[Mo4 Ir24 Ru8]'
_cell_volume [542.2572]
_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
[
  Mo  Mo0  4  0.0000  0.0694  0.7500  1
  Ir  Ir1  8  0.0491  0.3161  0.5150  1
  Ru  Ru2  8  0.1369  0.4843  0.8721  1
  Ir  Ir3  8  0.1496  0.1225  0.3172  1
  Ir  Ir4  8  0.2471  0.1736  0.8197  1
]