data_[Mo2Ir4Rh12]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.6613]
_cell_length_b [3.8620]
_cell_length_c [8.2052]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6202]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mo(IrRh3)2]
_chemical_formula_sum '[Mo2 Ir4 Rh12]'
_cell_volume [260.0982]
_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
[
  Mo  Mo0  2  0.0000  0.0000  0.5000  1.0
  Ir  Ir1  4  0.1638  0.5000  0.7220  1.0
  Rh  Rh2  4  0.0007  0.0000  0.1722  1.0
  Rh  Rh3  4  0.1643  0.5000  0.0510  1.0
  Rh  Rh4  4  0.1667  0.5000  0.3911  1.0
]