data_[Li2Tl2Sn2Te6]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.3038]
_cell_length_b [4.4513]
_cell_length_c [9.7774]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8744]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiTlSnTe3]
_chemical_formula_sum '[Li2 Tl2 Sn2 Te6]'
_cell_volume [387.4880]
_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  0.0784  0.2500  0.5899  1.0
  Tl  Tl1  2  0.2148  0.2500  0.2601  1.0
  Sn  Sn2  2  0.3125  0.7500  0.8526  1.0
  Te  Te3  2  0.1040  0.2500  0.8804  1.0
  Te  Te4  2  0.2342  0.7500  0.5433  1.0
  Te  Te5  2  0.4556  0.7500  0.1599  1.0
]