data_[Ce20Rh8Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Rh  2.2800  1.3500  0.7450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [15.4035]
_cell_length_b [7.6355]
_cell_length_c [7.6433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ce5(RhAu)2]
_chemical_formula_sum '[Ce20 Rh8 Au8]'
_cell_volume [898.9505]
_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  16  0.1291  0.1770  0.6715  1
  Ce  Ce1  4  0.0000  0.0000  0.0000  1
  Rh  Rh2  8  0.0000  0.1343  0.3639  1
  Au  Au3  8  0.2136  0.0000  0.0000  1
]