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 [Pm]
_cell_length_a [5.5997]
_cell_length_b [3.5254]
_cell_length_c [7.9149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1264]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LiTlSn]
_chemical_formula_sum '[Li2 Tl2 Sn2]'
_cell_volume [148.4960]
_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  0.1477  0.5000  0.5460  1
  Li  Li1  1  0.8522  0.5000  0.9103  1
  Tl  Tl2  1  0.3364  0.0000  0.8675  1
  Tl  Tl3  1  0.3432  0.5000  0.2343  1
  Sn  Sn4  1  0.6914  0.0000  0.5824  1
  Sn  Sn5  1  0.8424  0.0000  0.2331  1
]