data_[Al2Tl4Pd16]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.5921]
_cell_length_b [6.0530]
_cell_length_c [13.5844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Al(TlPd4)2]
_chemical_formula_sum '[Al2 Tl4 Pd16]'
_cell_volume [377.5844]
_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  4  0.0000  0.5000  0.1821  1.0
  Pd  Pd2  8  0.0000  0.2420  0.3608  1.0
  Pd  Pd3  4  0.0000  0.0000  0.1742  1.0
  Pd  Pd4  4  0.0000  0.2472  0.0000  1.0
]