data_[Ce4Zn8Ru2]
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 [P4/nmm]
_cell_length_a [7.1936]
_cell_length_b [7.1936]
_cell_length_c [5.1945]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [Ce2Zn4Ru]
_chemical_formula_sum '[Ce4 Zn8 Ru2]'
_cell_volume [268.8035]
_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  0.0000  0.0000  0.0000  1.0
  Ce  Ce1  2  0.0000  0.5000  0.2239  1.0
  Zn  Zn2  8  0.1851  0.3149  0.7100  1.0
  Ru  Ru3  2  0.0000  0.0000  0.5000  1.0
]