data_[Cs8Tl12Pd4]
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 [Cmc2_1]
_cell_length_a [15.0306]
_cell_length_b [11.3704]
_cell_length_c [6.3035]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2Tl3Pd]
_chemical_formula_sum '[Cs8 Tl12 Pd4]'
_cell_volume [1077.2928]
_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  0.1566  0.3556  0.7033  1.0
  Tl  Tl1  8  0.1207  0.0328  0.4988  1.0
  Tl  Tl2  4  0.0000  0.2308  0.2178  1.0
  Pd  Pd3  4  0.0000  0.1290  0.8100  1.0
]