data_[Li12Tl2Sn6]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.2316]
_cell_length_b [4.8195]
_cell_length_c [10.7321]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8385]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li6TlSn3]
_chemical_formula_sum '[Li12 Tl2 Sn6]'
_cell_volume [397.9149]
_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  0.0818  0.7500  0.8769  1
  Li  Li1  2  0.1525  0.7500  0.1616  1
  Li  Li2  2  0.1630  0.2500  0.7301  1
  Li  Li3  2  0.2617  0.7500  0.4836  1
  Li  Li4  2  0.3229  0.2500  0.3180  1
  Li  Li5  2  0.4492  0.7500  0.0658  1
  Tl  Tl6  2  0.0454  0.2500  0.4161  1
  Sn  Sn7  2  0.2226  0.2500  0.0249  1
  Sn  Sn8  2  0.3929  0.7500  0.7835  1
  Sn  Sn9  2  0.4567  0.2500  0.6199  1
]