data_[Li12Tl6Zn2]
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 [P2_1/m]
_cell_length_a [8.2072]
_cell_length_b [4.7533]
_cell_length_c [10.1377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7279]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li6Tl3Zn]
_chemical_formula_sum '[Li12 Tl6 Zn2]'
_cell_volume [378.7469]
_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  2  0.0512  0.7500  0.8761  1
  Li  Li1  2  0.1383  0.2500  0.6926  1
  Li  Li2  2  0.1509  0.7500  0.1881  1
  Li  Li3  2  0.2315  0.7500  0.4906  1
  Li  Li4  2  0.3321  0.2500  0.3052  1
  Li  Li5  2  0.4541  0.7500  0.0909  1
  Tl  Tl6  2  0.2269  0.2500  0.0069  1
  Tl  Tl7  2  0.3505  0.7500  0.7923  1
  Tl  Tl8  2  0.4573  0.2500  0.6030  1
  Zn  Zn9  2  0.0480  0.2500  0.4136  1
]