data_[Ce6Ru2Au2]
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 [P-1]
_cell_length_a [5.3055]
_cell_length_b [6.2836]
_cell_length_c [8.4502]
_cell_angle_alpha [71.8658]
_cell_angle_beta [79.2879]
_cell_angle_gamma [66.0578]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ce3RuAu]
_chemical_formula_sum '[Ce6 Ru2 Au2]'
_cell_volume [244.1049]
_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  2  0.1191  0.3419  0.3296  1.0
  Ce  Ce1  2  0.1576  0.0251  0.7163  1.0
  Ce  Ce2  2  0.4818  0.3043  0.9040  1.0
  Ru  Ru3  2  0.0034  0.2574  0.9880  1.0
  Au  Au4  2  0.3994  0.7511  0.4499  1.0
]