data_[Ce12Zn12Ni30]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0351]
_cell_length_b [5.0351]
_cell_length_c [37.3050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ce2Zn2Ni5]
_chemical_formula_sum '[Ce12 Zn12 Ni30]'
_cell_volume [819.0410]
_cell_formula_units_Z [6]
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  0.0570  1.0
  Ce  Ce1  6  0.0000  0.0000  0.1457  1.0
  Zn  Zn2  9  0.0000  0.5000  0.0000  1.0
  Zn  Zn3  3  -0.0000  -0.0000  0.5000  1.0
  Ni  Ni4  18  0.0012  0.5006  0.8898  1.0
  Ni  Ni5  6  0.0000  0.0000  0.2769  1.0
  Ni  Ni6  6  0.0000  0.0000  0.3894  1.0
]