data_[Th1H8Pd1Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.6367]
_cell_length_b [4.6367]
_cell_length_c [6.9035]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [ThH8PdRu2]
_chemical_formula_sum '[Th1 H8 Pd1 Ru2]'
_cell_volume [128.5353]
_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  0.0000  0.5000  1
  H  H1  6  0.1318  0.2635  0.7915  1
  Ru  Ru2  2  0.3333  0.6667  0.7931  1
  H  H3  2  0.3333  0.6667  0.5522  1
  Pd  Pd4  1  0.0000  0.0000  0.0000  1
]