data_[Li16Tl4Zn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3280]
_cell_length_b [4.4558]
_cell_length_c [6.6829]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9860]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8Tl2Zn]
_chemical_formula_sum '[Li16 Tl4 Zn2]'
_cell_volume [400.9592]
_cell_formula_units_Z [2]
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  0.0321  0.0000  0.7322  1.0
  Li  Li1  4  0.0948  0.5000  0.4360  1.0
  Li  Li2  4  0.1422  0.0000  0.1817  1.0
  Li  Li3  4  0.1709  0.5000  0.9042  1.0
  Tl  Tl4  4  0.2144  0.0000  0.6503  1.0
  Zn  Zn5  2  0.0000  0.5000  0.0000  1.0
]