data_[Li4Al12Zn4]
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 [P2_13]
_cell_length_a [6.8277]
_cell_length_b [6.8277]
_cell_length_c [6.8277]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [198]
_chemical_formula_structural [LiAl3Zn]
_chemical_formula_sum '[Li4 Al12 Zn4]'
_cell_volume [318.2839]
_cell_formula_units_Z [4]
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  4  0.0587  0.0587  0.0587  1.0
  Al  Al1  12  0.0546  0.8799  0.7009  1.0
  Zn  Zn2  4  0.1944  0.8056  0.3056  1.0
]