data_[Al4Tl4Pd20]
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 [C2/c]
_cell_length_a [7.9725]
_cell_length_b [7.0314]
_cell_length_c [8.8815]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.5069]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [AlTlPd5]
_chemical_formula_sum '[Al4 Tl4 Pd20]'
_cell_volume [493.6103]
_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
[
  Al  Al0  4  0.0000  0.4430  0.7500  1
  Tl  Tl1  4  0.0000  0.0000  0.0000  1
  Pd  Pd2  8  0.1525  0.4092  0.5120  1
  Pd  Pd3  8  0.1830  0.1474  0.7633  1
  Pd  Pd4  4  0.0000  0.2113  0.2500  1
]