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 [P1]
_cell_length_a [5.5696]
_cell_length_b [5.6620]
_cell_length_c [6.0100]
_cell_angle_alpha [74.0628]
_cell_angle_beta [65.3955]
_cell_angle_gamma [61.0513]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiTlSn]
_chemical_formula_sum '[Li2 Tl2 Sn2]'
_cell_volume [150.1519]
_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  1  0.0853  0.5305  0.5478  1.0
  Li  Li1  1  0.2729  0.0753  0.0610  1.0
  Tl  Tl2  1  0.4484  0.8637  0.5400  1.0
  Tl  Tl3  1  0.6085  0.4057  0.0824  1.0
  Sn  Sn4  1  0.7775  0.1708  0.5828  1.0
  Sn  Sn5  1  0.9624  0.7404  0.0260  1.0
]