data_[Li24Al3Zn18]
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 [R-3]
_cell_length_a [6.8078]
_cell_length_b [6.8078]
_cell_length_c [17.4428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li8AlZn6]
_chemical_formula_sum '[Li24 Al3 Zn18]'
_cell_volume [700.0934]
_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  18  0.0504  0.2621  0.1282  1.0
  Li  Li1  6  0.0000  0.0000  0.4136  1.0
  Al  Al2  3  0.0000  0.0000  0.0000  1.0
  Zn  Zn3  18  0.0076  0.7732  0.7135  1.0
]