data_[Ce16Ir6Au4]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.0619]
_cell_length_b [8.0111]
_cell_length_c [6.9700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2880]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce8Ir3Au2]
_chemical_formula_sum '[Ce16 Ir6 Au4]'
_cell_volume [798.5393]
_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  8  0.1120  0.2463  0.4073  1
  Ce  Ce1  4  0.1086  0.0000  0.9083  1
  Ce  Ce2  4  0.1183  0.5000  0.9329  1
  Ir  Ir3  4  0.0000  0.2561  0.0000  1
  Ir  Ir4  2  0.0000  0.0000  0.5000  1
  Au  Au5  4  0.2470  0.5000  0.6704  1
]