data_[Tl6Zn6Pb9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.3579]
_cell_length_b [5.3579]
_cell_length_c [23.4832]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Tl2Zn2Pb3]
_chemical_formula_sum '[Tl6 Zn6 Pb9]'
_cell_volume [583.8108]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.2324  1
  Tl  Tl1  3  0.0000  0.0000  0.8232  1
  Zn  Zn2  3  0.0000  0.0000  0.5076  1
  Zn  Zn3  3  0.0000  0.0000  0.9589  1
  Pb  Pb4  3  0.0000  0.0000  0.0910  1
  Pb  Pb5  3  0.0000  0.0000  0.3757  1
  Pb  Pb6  3  0.0000  0.0000  0.6362  1
]