data_[Li1Ac3Zn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ac  1.1000  1.9500  1.2600
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.8468]
_cell_length_b [5.8468]
_cell_length_c [8.9731]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [LiAc3Zn8]
_chemical_formula_sum '[Li1 Ac3 Zn8]'
_cell_volume [265.6508]
_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  0.5363  1
  Ac  Ac1  1  0.0000  0.0000  0.9238  1
  Ac  Ac2  1  0.6667  0.3333  0.0564  1
  Ac  Ac3  1  0.6667  0.3333  0.4588  1
  Zn  Zn4  3  0.0248  0.5124  0.7490  1
  Zn  Zn5  3  0.1622  0.3244  0.2569  1
  Zn  Zn6  1  0.3333  0.6667  0.0128  1
  Zn  Zn7  1  0.3333  0.6667  0.4944  1
]