data_[Ce8Ru6Au1]
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-3]
_cell_length_a [9.9059]
_cell_length_b [9.9059]
_cell_length_c [4.1044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Ce8Ru6Au]
_chemical_formula_sum '[Ce8 Ru6 Au1]'
_cell_volume [348.7891]
_cell_formula_units_Z [1]
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  6  0.0485  0.3192  0.2400  1.0
  Ce  Ce1  2  0.3333  0.6667  0.7459  1.0
  Ru  Ru2  6  0.0924  0.6248  0.2519  1.0
  Au  Au3  1  0.0000  0.0000  0.5000  1.0
]