data_[Cs4Tl16Pd8]
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 [I4_1/amd]
_cell_length_a [7.0380]
_cell_length_b [7.0380]
_cell_length_c [16.6114]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [Cs(Tl2Pd)2]
_chemical_formula_sum '[Cs4 Tl16 Pd8]'
_cell_volume [822.8231]
_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  4  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  16  0.0000  0.2241  0.8032  1.0
  Pd  Pd2  8  0.0000  0.2500  0.6250  1.0
]