data_[Li3Al6Zn3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.8235]
_cell_length_b [2.8235]
_cell_length_c [27.6516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiAl2Zn]
_chemical_formula_sum '[Li3 Al6 Zn3]'
_cell_volume [190.9081]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4985  1.0
  Al  Al1  3  0.0000  0.0000  0.0024  1.0
  Al  Al2  3  0.0000  0.0000  0.2481  1.0
  Zn  Zn3  3  0.0000  0.0000  0.7511  1.0
]