data_[Li2Tl12Sn4]
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/m]
_cell_length_a [7.0496]
_cell_length_b [15.9834]
_cell_length_c [4.9114]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6771]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(Tl3Sn)2]
_chemical_formula_sum '[Li2 Tl12 Sn4]'
_cell_volume [521.0843]
_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  0.0000  0.0000  0.0000  1
  Tl  Tl1  8  0.1822  0.3388  0.8324  1
  Tl  Tl2  4  0.1763  0.5000  0.3336  1
  Sn  Sn3  4  0.0000  0.1547  0.5000  1
]