data_[Ce16Ir4Rh2]
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 [17.8209]
_cell_length_b [4.6029]
_cell_length_c [6.8267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5046]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce8Ir2Rh]
_chemical_formula_sum '[Ce16 Ir4 Rh2]'
_cell_volume [531.0315]
_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  0.0037  0.0000  0.7539  1.0
  Ce  Ce1  4  0.0914  0.5000  0.4870  1.0
  Ce  Ce2  4  0.1696  0.5000  0.0233  1.0
  Ce  Ce3  4  0.2024  0.0000  0.3109  1.0
  Ir  Ir4  4  0.1630  0.0000  0.7423  1.0
  Rh  Rh5  2  0.0000  0.5000  0.0000  1.0
]