data_[Tl8Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [5.9046]
_cell_length_b [7.3028]
_cell_length_c [7.9510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [TlPd]
_chemical_formula_sum '[Tl8 Pd8]'
_cell_volume [342.8463]
_cell_formula_units_Z [8]
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
[
  Tl  Tl0  4  0.0692  0.2130  0.7237  1.0
  Tl  Tl1  4  0.0803  0.4543  0.3775  1.0
  Pd  Pd2  4  0.1717  0.2765  0.0614  1.0
  Pd  Pd3  4  0.1837  0.0684  0.4023  1.0
]