data_[Tl1In10Sn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4453]
_cell_length_b [8.2137]
_cell_length_c [8.3486]
_cell_angle_alpha [82.8675]
_cell_angle_beta [68.4363]
_cell_angle_gamma [68.9079]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl(In5Sn)2]
_chemical_formula_sum '[Tl1 In10 Sn2]'
_cell_volume [383.4823]
_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  1  0.0000  0.0000  0.0000  1.0
  In  In1  2  0.0029  0.3511  0.6496  1.0
  In  In2  2  0.2850  0.2156  0.2147  1.0
  In  In3  2  0.3519  0.6449  0.6466  1.0
  In  In4  2  0.4990  0.7977  0.2022  1.0
  In  In5  1  0.0000  0.5000  0.0000  1.0
  In  In6  1  0.5000  0.5000  0.0000  1.0
  Sn  Sn7  1  0.0000  0.0000  0.5000  1.0
  Sn  Sn8  1  0.5000  0.0000  0.5000  1.0
]