data_[Ce12Ir4Au2]
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 [10.2724]
_cell_length_b [4.7731]
_cell_length_c [8.8877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8149]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce6Ir2Au]
_chemical_formula_sum '[Ce12 Ir4 Au2]'
_cell_volume [431.7306]
_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  0.0594  0.0000  0.8514  1
  Ce  Ce1  4  0.1061  0.5000  0.1718  1
  Ce  Ce2  4  0.1951  0.5000  0.5800  1
  Ir  Ir3  4  0.2319  0.5000  0.8814  1
  Au  Au4  2  0.0000  0.0000  0.5000  1
]