data_[Ce20Zn4Ru8]
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 [Cmcm]
_cell_length_a [4.5910]
_cell_length_b [10.6260]
_cell_length_c [15.4131]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ce5ZnRu2]
_chemical_formula_sum '[Ce20 Zn4 Ru8]'
_cell_volume [751.9212]
_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  8  0.0000  0.1019  0.0730  1.0
  Ce  Ce1  8  0.0000  0.4274  0.1076  1.0
  Ce  Ce2  4  0.0000  0.2847  0.7500  1.0
  Zn  Zn3  4  0.0000  0.0012  0.7500  1.0
  Ru  Ru4  8  0.0000  0.2431  0.5866  1.0
]