data_[Li2Tl2Sn2]
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/m]
_cell_length_a [5.6811]
_cell_length_b [3.3213]
_cell_length_c [7.8065]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2568]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LiTlSn]
_chemical_formula_sum '[Li2 Tl2 Sn2]'
_cell_volume [146.4201]
_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  0.2925  0.0000  0.6938  1.0
  Tl  Tl1  2  0.2243  0.5000  0.3614  1.0
  Sn  Sn2  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn3  1  0.5000  0.5000  0.0000  1.0
]