data_[Th3Ni3H24Ru6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [4.5698]
_cell_length_b [4.5698]
_cell_length_c [16.6287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [ThNi(H4Ru)2]
_chemical_formula_sum '[Th3 Ni3 H24 Ru6]'
_cell_volume [300.7318]
_cell_formula_units_Z [3]
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  3  -0.0000  0.0000  0.5000  1
  Ni  Ni1  3  0.0000  0.0000  0.0000  1
  H  H2  18  0.0067  0.3811  0.2825  1
  H  H3  6  0.0000  0.0000  0.1870  1
  Ru  Ru4  6  0.0000  0.0000  0.2882  1
]