data_[Ce20Zn8Ru8]
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 [Ima2]
_cell_length_a [18.9153]
_cell_length_b [6.0637]
_cell_length_c [7.2080]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Ce5(ZnRu)2]
_chemical_formula_sum '[Ce20 Zn8 Ru8]'
_cell_volume [826.7237]
_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  0.0820  0.6511  0.7074  1
  Ce  Ce1  8  0.1607  0.1092  0.8618  1
  Ce  Ce2  4  0.2500  0.6065  0.9981  1
  Zn  Zn3  8  0.0512  0.1363  0.5601  1
  Ru  Ru4  4  0.0000  0.0000  0.9018  1
  Ru  Ru5  4  0.2500  0.0668  0.1776  1
]