data_[Tl10In8Sn2]
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 [C2/m]
_cell_length_a [23.7385]
_cell_length_b [3.5028]
_cell_length_c [7.1037]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8511]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl5In4Sn]
_chemical_formula_sum '[Tl10 In8 Sn2]'
_cell_volume [581.9716]
_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
[
  Tl  Tl0  4  0.1010  0.0000  0.8081  1.0
  Tl  Tl1  4  0.1974  0.5000  0.5946  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  In  In3  4  0.0994  0.0000  0.2828  1.0
  In  In4  4  0.2021  0.5000  0.1005  1.0
  Sn  Sn5  2  0.0000  0.5000  0.0000  1.0
]