data_[Ce6Al8Zn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.6340]
_cell_length_b [4.6340]
_cell_length_c [20.7939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Ce3(Al2Zn)2]
_chemical_formula_sum '[Ce6 Al8 Zn4]'
_cell_volume [386.7019]
_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  1  0.3333  0.6667  0.0933  1
  Ce  Ce1  1  0.3333  0.6667  0.2393  1
  Ce  Ce2  1  0.3333  0.6667  0.4142  1
  Ce  Ce3  1  0.3333  0.6667  0.5804  1
  Ce  Ce4  1  0.3333  0.6667  0.7524  1
  Ce  Ce5  1  0.3333  0.6667  0.9188  1
  Al  Al6  1  0.0000  0.0000  0.0011  1
  Al  Al7  1  0.0000  0.0000  0.3225  1
  Al  Al8  1  0.0000  0.0000  0.6623  1
  Al  Al9  1  0.6667  0.3333  0.0069  1
  Al  Al10  1  0.6667  0.3333  0.3336  1
  Al  Al11  1  0.6667  0.3333  0.4965  1
  Al  Al12  1  0.6667  0.3333  0.6690  1
  Al  Al13  1  0.6667  0.3333  0.8327  1
  Zn  Zn14  1  0.0000  0.0000  0.1718  1
  Zn  Zn15  1  0.0000  0.0000  0.5047  1
  Zn  Zn16  1  0.0000  0.0000  0.8390  1
  Zn  Zn17  1  0.6667  0.3333  0.1613  1
]