data_[La1Ce3Zn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.7267]
_cell_length_b [5.7267]
_cell_length_c [8.5983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [LaCe3Zn8]
_chemical_formula_sum '[La1 Ce3 Zn8]'
_cell_volume [244.2045]
_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
[
  La  La0  1  0.0000  0.0000  0.4312  1.0
  Ce  Ce1  1  0.0000  0.0000  0.0620  1.0
  Ce  Ce2  1  0.6667  0.3333  0.5844  1.0
  Ce  Ce3  1  0.6667  0.3333  0.9210  1.0
  Zn  Zn4  3  0.1684  0.3369  0.7521  1.0
  Zn  Zn5  3  0.5029  0.0058  0.2478  1.0
  Zn  Zn6  1  0.3333  0.6667  0.0032  1.0
  Zn  Zn7  1  0.3333  0.6667  0.4985  1.0
]