data_[Ce12Zn6Si6Ni36]
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
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.9030]
_cell_length_b [5.9030]
_cell_length_c [31.7940]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ce2ZnSiNi6]
_chemical_formula_sum '[Ce12 Zn6 Si6 Ni36]'
_cell_volume [959.4506]
_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  0.1130  1
  Ce  Ce1  6  0.0000  0.0000  0.2824  1
  Zn  Zn2  6  0.0000  0.0000  0.4235  1
  Si  Si3  3  -0.0000  -0.0000  0.5000  1
  Si  Si4  3  0.0000  0.0000  0.0000  1
  Ni  Ni5  18  0.0589  0.5294  0.3048  1
  Ni  Ni6  18  0.0671  0.5335  0.8628  1
]