data_[Tl20In4Sn4Pb8]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3816]
_cell_length_b [23.8500]
_cell_length_c [11.2531]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl5InSnPb2]
_chemical_formula_sum '[Tl20 In4 Sn4 Pb8]'
_cell_volume [1175.9598]
_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  4  0.0000  0.0222  0.4648  1.0
  Tl  Tl1  4  0.0000  0.2578  0.2034  1.0
  Tl  Tl2  4  0.0000  0.3196  0.4731  1.0
  Tl  Tl3  4  0.0000  0.3433  0.8025  1.0
  Tl  Tl4  4  0.0000  0.4914  0.7373  1.0
  In  In5  4  0.0000  0.1890  0.5106  1.0
  Sn  Sn6  4  0.0000  0.3944  0.0833  1.0
  Pb  Pb7  4  0.0000  0.0992  0.1073  1.0
  Pb  Pb8  4  0.0000  0.1091  0.7936  1.0
]