data_[Th2Ag4Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5962]
_cell_length_b [4.1720]
_cell_length_c [6.3656]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6117]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th(AgPd4)2]
_chemical_formula_sum '[Th2 Ag4 Pd16]'
_cell_volume [375.0959]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.0000  1
  Ag  Ag1  4  0.2277  0.0000  0.6392  1
  Pd  Pd2  4  0.0461  0.0000  0.7210  1
  Pd  Pd3  4  0.0910  0.5000  0.4611  1
  Pd  Pd4  4  0.1381  0.0000  0.1850  1
  Pd  Pd5  4  0.1829  0.5000  0.9102  1
]