data_[Li8Tl4Sn12]
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 [C2/c]
_cell_length_a [9.6033]
_cell_length_b [9.7803]
_cell_length_c [6.5823]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2937]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li2TlSn3]
_chemical_formula_sum '[Li8 Tl4 Sn12]'
_cell_volume [616.5016]
_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  8  0.1950  0.2524  0.2224  1
  Tl  Tl1  4  0.0000  0.0191  0.2500  1
  Sn  Sn2  8  0.1758  0.4888  0.4872  1
  Sn  Sn3  4  0.0000  0.2955  0.7500  1
]