data_[Ce16Ge4Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ge  2.0100  1.2500  0.7700
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.2487]
_cell_length_b [4.9083]
_cell_length_c [7.4594]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7066]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce8Ge2Ir]
_chemical_formula_sum '[Ce16 Ge4 Ir2]'
_cell_volume [548.8079]
_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  0.0115  0.0000  0.7810  1.0
  Ce  Ce1  4  0.0637  0.5000  0.4265  1.0
  Ce  Ce2  4  0.1748  0.5000  0.9233  1.0
  Ce  Ce3  4  0.2103  0.0000  0.2813  1.0
  Ge  Ge4  4  0.1685  0.0000  0.6459  1.0
  Ir  Ir5  2  0.0000  0.5000  0.0000  1.0
]