data_[Li20Zn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.9720]
_cell_length_b [14.5091]
_cell_length_c [7.6050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9537]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li5Zn3]
_chemical_formula_sum '[Li20 Zn12]'
_cell_volume [518.8730]
_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  8  0.0865  0.3266  0.6962  1.0
  Li  Li1  8  0.1407  0.0992  0.8521  1.0
  Li  Li2  4  0.2404  0.0000  0.4808  1.0
  Zn  Zn3  4  0.0000  0.1727  0.5000  1.0
  Zn  Zn4  4  0.0000  0.2566  0.0000  1.0
  Zn  Zn5  4  0.1084  0.5000  0.8465  1.0
]