data_[Ce1Zn3Ni8]
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 [P3m1]
_cell_length_a [4.8205]
_cell_length_b [4.8205]
_cell_length_c [7.8971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [CeZn3Ni8]
_chemical_formula_sum '[Ce1 Zn3 Ni8]'
_cell_volume [158.9187]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5741  1
  Zn  Zn1  1  0.0000  0.0000  0.9657  1
  Zn  Zn2  1  0.6667  0.3333  0.0478  1
  Zn  Zn3  1  0.6667  0.3333  0.3908  1
  Ni  Ni4  3  0.1654  0.3309  0.2469  1
  Ni  Ni5  3  0.5020  0.0040  0.7597  1
  Ni  Ni6  1  0.3333  0.6667  0.0019  1
  Ni  Ni7  1  0.3333  0.6667  0.4999  1
]