data_[Th1Tl2Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Tl  1.6200  1.9000  1.3325
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.3877]
_cell_length_b [5.4283]
_cell_length_c [7.0890]
_cell_angle_alpha [97.8841]
_cell_angle_beta [97.3582]
_cell_angle_gamma [95.3681]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Th(TlPd4)2]
_chemical_formula_sum '[Th1 Tl2 Pd8]'
_cell_volume [202.3688]
_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
[
  Th  Th0  1  0.0000  0.5000  0.0000  1
  Tl  Tl1  2  0.3577  0.8179  0.6616  1
  Pd  Pd2  2  0.0485  0.8573  0.3226  1
  Pd  Pd3  2  0.1827  0.3739  0.3985  1
  Pd  Pd4  2  0.2581  0.0544  0.0302  1
  Pd  Pd5  2  0.4853  0.3594  0.7992  1
]