data_[Na2Tl4Sn2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.0471]
_cell_length_b [8.8091]
_cell_length_c [14.1021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.4954]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaTl2SnI6]
_chemical_formula_sum '[Na2 Tl4 Sn2 I12]'
_cell_volume [833.6506]
_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
[
  Na  Na0  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl1  4  0.2056  0.1023  0.2493  1.0
  Sn  Sn2  2  0.5000  0.0000  0.0000  1.0
  I  I3  4  0.1306  0.1779  0.9453  1.0
  I  I4  4  0.2737  0.6986  0.9417  1.0
  I  I5  4  0.3829  0.0309  0.7548  1.0
]