data_[Tl20Bi4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.1513]
_cell_length_b [6.4859]
_cell_length_c [12.0573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4188]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl5BiPb]
_chemical_formula_sum '[Tl20 Bi4 Pb4]'
_cell_volume [928.0315]
_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  0.1546  0.4783  0.5304  1.0
  Tl  Tl1  8  0.2362  0.0468  0.1951  1.0
  Tl  Tl2  4  0.0000  0.2806  0.2500  1.0
  Bi  Bi3  4  0.0000  0.0000  0.0000  1.0
  Pb  Pb4  4  0.0000  0.2228  0.7500  1.0
]