data_[Cs12Tl20Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [11.6514]
_cell_length_b [15.6344]
_cell_length_c [7.9948]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Cs3Tl5Pd2]
_chemical_formula_sum '[Cs12 Tl20 Pd8]'
_cell_volume [1456.3501]
_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
[
  Cs  Cs0  8  0.2477  0.3617  0.5000  1
  Cs  Cs1  4  0.0000  0.0000  0.2500  1
  Tl  Tl2  8  0.0000  0.2567  0.2500  1
  Tl  Tl3  8  0.1606  0.3904  0.0000  1
  Tl  Tl4  4  0.0000  0.5000  0.2500  1
  Pd  Pd5  8  0.1149  0.1673  0.5000  1
]