data_[Ce16Ir2Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [17.5575]
_cell_length_b [5.1309]
_cell_length_c [6.3839]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2636]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce8IrRh2]
_chemical_formula_sum '[Ce16 Ir2 Rh4]'
_cell_volume [535.9499]
_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
[
  Ce  Ce0  4  0.0153  0.0000  0.2523  1
  Ce  Ce1  4  0.0950  0.5000  0.6983  1
  Ce  Ce2  4  0.1741  0.5000  0.3003  1
  Ce  Ce3  4  0.2067  0.0000  0.0941  1
  Ir  Ir4  2  0.0000  0.5000  0.0000  1
  Rh  Rh5  4  0.1632  0.0000  0.5765  1
]