data_[Tl7Sn1]
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 [P2]
_cell_length_a [5.8750]
_cell_length_b [20.2969]
_cell_length_c [6.9836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0613]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [Tl7Sn]
_chemical_formula_sum '[Tl7 Sn1]'
_cell_volume [819.9403]
_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  0.2267  0.4708  0.3502  1
  Tl  Tl1  2  0.3077  0.4563  0.8158  1
  Tl  Tl2  2  0.4763  0.6143  0.7517  1
  Tl  Tl3  1  0.0000  0.3533  0.0000  1
  Sn  Sn4  1  0.0000  0.5639  0.0000  1
]