data_[Ce8Si8Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Si  1.9000  1.1000  0.5400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6553]
_cell_length_b [4.3600]
_cell_length_c [10.4605]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.7305]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2Si2Au]
_chemical_formula_sum '[Ce8 Si8 Au4]'
_cell_volume [430.1482]
_cell_formula_units_Z [4]
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  0.0057  0.0000  0.3238  1.0
  Ce  Ce1  4  0.1878  0.0000  0.1038  1.0
  Si  Si2  4  0.0240  0.5000  0.8935  1.0
  Si  Si3  4  0.1299  0.5000  0.5634  1.0
  Au  Au4  4  0.2226  0.5000  0.3490  1.0
]