data_[Li1Ce2Zn6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.9052]
_cell_length_b [5.9052]
_cell_length_c [5.8103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Li(CeZn3)2]
_chemical_formula_sum '[Li1 Ce2 Zn6]'
_cell_volume [175.4684]
_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
[
  Li  Li0  1  0.0000  0.0000  0.0000  1.0
  Ce  Ce1  2  0.3333  0.6667  0.1544  1.0
  Zn  Zn2  6  0.1770  0.3539  0.6637  1.0
]