data_[Tl2Sb2Pd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.4931]
_cell_length_b [6.3795]
_cell_length_c [7.3708]
_cell_angle_alpha [89.0759]
_cell_angle_beta [76.4704]
_cell_angle_gamma [89.8388]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl2Sb2Pd3]
_chemical_formula_sum '[Tl2 Sb2 Pd3]'
_cell_volume [159.6721]
_cell_formula_units_Z [1]
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  2  0.1014  0.5981  0.8046  1.0
  Sb  Sb1  2  0.3505  0.9468  0.2971  1.0
  Pd  Pd2  2  0.2438  0.3096  0.5112  1.0
  Pd  Pd3  1  0.0000  0.0000  0.0000  1.0
]