data_[Tl13Sn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1285]
_cell_length_b [8.2981]
_cell_length_c [9.8856]
_cell_angle_alpha [68.8661]
_cell_angle_beta [78.0466]
_cell_angle_gamma [84.3264]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl13Sn2]
_chemical_formula_sum '[Tl13 Sn2]'
_cell_volume [458.5889]
_cell_formula_units_Z [1]
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
[
  Tl  Tl0  2  0.1292  0.7852  0.4681  1.0
  Tl  Tl1  2  0.1992  0.1960  0.2066  1.0
  Tl  Tl2  2  0.2606  0.5979  0.9348  1.0
  Tl  Tl3  2  0.3299  0.0018  0.6644  1.0
  Tl  Tl4  2  0.3886  0.4034  0.4033  1.0
  Tl  Tl5  2  0.4691  0.7985  0.1334  1.0
  Tl  Tl6  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn7  2  0.0662  0.3981  0.7402  1.0
]