data_[Li12Tl4Zn4]
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 [13.7602]
_cell_length_b [4.6067]
_cell_length_c [5.7765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2778]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3TlZn]
_chemical_formula_sum '[Li12 Tl4 Zn4]'
_cell_volume [360.2920]
_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  0.0022  0.0000  0.2406  1
  Li  Li1  4  0.1125  0.5000  0.4417  1
  Li  Li2  4  0.1999  0.0000  0.7109  1
  Tl  Tl3  4  0.1132  0.5000  0.9385  1
  Zn  Zn4  4  0.1909  0.0000  0.2263  1
]