data_[Cs8Tl12Pd12]
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 [Cmcm]
_cell_length_a [3.6797]
_cell_length_b [17.4551]
_cell_length_c [14.3358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Cs2(TlPd)3]
_chemical_formula_sum '[Cs8 Tl12 Pd12]'
_cell_volume [920.7827]
_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  0.0000  0.2649  0.1221  1
  Tl  Tl1  8  0.0000  0.4208  0.5624  1
  Tl  Tl2  4  0.0000  0.4575  0.2500  1
  Pd  Pd3  8  0.0000  0.0493  0.5916  1
  Pd  Pd4  4  0.0000  0.3795  0.7500  1
]