data_[Li4Tl4Sn12]
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/c]
_cell_length_a [9.4648]
_cell_length_b [5.6214]
_cell_length_c [10.4404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9780]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiTlSn3]
_chemical_formula_sum '[Li4 Tl4 Sn12]'
_cell_volume [541.2938]
_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  0.1360  0.5660  0.4256  1.0
  Tl  Tl1  4  0.4379  0.5470  0.3329  1.0
  Sn  Sn2  4  0.0511  0.5897  0.1376  1.0
  Sn  Sn3  4  0.2085  0.0925  0.2021  1.0
  Sn  Sn4  4  0.3302  0.0184  0.4985  1.0
]