data_[Al2Tl2Pb4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Tl  1.6200  1.9000  1.3325
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4205]
_cell_length_b [4.3497]
_cell_length_c [8.8021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2700]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AlTl(PbAu3)2]
_chemical_formula_sum '[Al2 Tl2 Pb4 Au12]'
_cell_volume [460.7511]
_cell_formula_units_Z [2]
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
[
  Al  Al0  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl1  2  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  4  0.2321  0.0000  0.8088  1.0
  Au  Au3  4  0.0569  0.0000  0.3798  1.0
  Au  Au4  4  0.0794  0.5000  0.8346  1.0
  Au  Au5  4  0.2084  0.5000  0.5598  1.0
]