data_[Tl10In4Sn4]
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 [10.7614]
_cell_length_b [5.2672]
_cell_length_c [9.7866]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3283]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl5(InSn)2]
_chemical_formula_sum '[Tl10 In4 Sn4]'
_cell_volume [548.8779]
_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  0.0704  0.0000  0.6713  1
  Tl  Tl1  4  0.1097  0.5000  0.2270  1
  Tl  Tl2  2  0.0000  0.0000  0.0000  1
  In  In3  4  0.1936  0.5000  0.9033  1
  Sn  Sn4  4  0.2457  0.0000  0.4112  1
]