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 [5.7561]
_cell_length_b [3.4390]
_cell_length_c [7.4721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4411]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LiTlSn]
_chemical_formula_sum '[Li2 Tl2 Sn2]'
_cell_volume [147.6470]
_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  0.4926  0.0000  0.0480  1.0
  Li  Li1  1  0.8778  0.0000  0.6736  1.0
  Tl  Tl2  1  0.1982  0.0000  0.3563  1.0
  Tl  Tl3  1  0.4051  0.5000  0.7274  1.0
  Sn  Sn4  1  0.6998  0.5000  0.3538  1.0
  Sn  Sn5  1  0.9531  0.5000  0.0009  1.0
]