data_[Sm3H18Pd21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.0946]
_cell_length_b [5.0946]
_cell_length_c [21.9554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [SmH6Pd7]
_chemical_formula_sum '[Sm3 H18 Pd21]'
_cell_volume [493.5053]
_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
[
  Sm  Sm0  3  0.0000  0.0000  0.9980  1
  Pd  Pd1  9  0.0013  0.3296  0.7765  1
  H  H2  9  0.0018  0.3293  0.2489  1
  H  H3  9  0.0023  0.6799  0.4130  1
  Pd  Pd4  9  0.0039  0.6693  0.2192  1
  Pd  Pd5  3  0.0000  0.0000  0.6646  1
]