data_[Ce24Ru8Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ru  2.2000  1.3000  0.6610
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.3655]
_cell_length_b [10.2396]
_cell_length_c [14.7578]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Ce6Ru2Au]
_chemical_formula_sum '[Ce24 Ru8 Au4]'
_cell_volume [810.8026]
_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  0.0000  0.1653  0.1739  1.0
  Ce  Ce1  8  0.0000  0.1484  0.5000  1.0
  Ru  Ru2  8  0.0000  0.0000  0.3247  1.0
  Au  Au3  4  0.0000  0.0000  0.0000  1.0
]