data_[Tl3Pd3Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.6293]
_cell_length_b [3.6293]
_cell_length_c [29.1116]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [TlPdPb2]
_chemical_formula_sum '[Tl3 Pd3 Pb6]'
_cell_volume [332.0729]
_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  0.5020  1.0
  Pd  Pd1  3  0.0000  0.0000  0.6660  1.0
  Pb  Pb2  3  0.0000  0.0000  0.0660  1.0
  Pb  Pb3  3  0.0000  0.0000  0.2660  1.0
]