data_[Ce6Zn45Ru6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Zn  1.6500  1.3500  0.8800
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.2779]
_cell_length_b [9.2779]
_cell_length_c [12.5795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ce2Zn15Ru2]
_chemical_formula_sum '[Ce6 Zn45 Ru6]'
_cell_volume [937.7561]
_cell_formula_units_Z [3]
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  0.0000  0.0000  0.3218  1.0
  Zn  Zn1  18  0.0000  0.2777  0.0000  1.0
  Zn  Zn2  18  0.0100  0.5050  0.1487  1.0
  Zn  Zn3  9  0.0000  0.5000  0.5000  1.0
  Ru  Ru4  6  0.0000  0.0000  0.1287  1.0
]