data_[Tl20Sn4Pb4]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.2697]
_cell_length_b [6.4324]
_cell_length_c [11.8957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9025]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl5SnPb]
_chemical_formula_sum '[Tl20 Sn4 Pb4]'
_cell_volume [907.2693]
_cell_formula_units_Z [4]
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  8  0.1517  0.4476  0.0299  1.0
  Tl  Tl1  8  0.2358  0.0911  0.6838  1.0
  Tl  Tl2  4  0.0000  0.2991  0.7500  1.0
  Sn  Sn3  4  0.0000  0.0000  0.0000  1.0
  Pb  Pb4  4  0.0000  0.2037  0.2500  1.0
]