data_[Li16Tl2Sn10]
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 [I-4]
_cell_length_a [7.8814]
_cell_length_b [7.8814]
_cell_length_c [9.3293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Li8TlSn5]
_chemical_formula_sum '[Li16 Tl2 Sn10]'
_cell_volume [579.5070]
_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  8  0.0770  0.8469  0.7603  1
  Li  Li1  8  0.0869  0.6834  0.3605  1
  Tl  Tl2  2  0.0000  0.5000  0.7500  1
  Sn  Sn3  8  0.1353  0.7645  0.0555  1
  Sn  Sn4  2  0.0000  0.0000  0.5000  1
]