data_[Li4Al4Zn20]
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 [Pnma]
_cell_length_a [8.1064]
_cell_length_b [5.2743]
_cell_length_c [10.6115]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LiAlZn5]
_chemical_formula_sum '[Li4 Al4 Zn20]'
_cell_volume [453.6997]
_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  0.2490  0.7500  0.5701  1
  Al  Al1  4  0.1381  0.7500  0.8559  1
  Zn  Zn2  8  0.0627  0.0123  0.3103  1
  Zn  Zn3  4  0.0661  0.7500  0.0877  1
  Zn  Zn4  4  0.0988  0.2500  0.5205  1
  Zn  Zn5  4  0.1876  0.2500  0.7599  1
]