data_[Sc1H6Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [7.9587]
_cell_length_b [7.9587]
_cell_length_c [2.9357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Sc(H3Pd4)2]
_chemical_formula_sum '[Sc1 H6 Pd8]'
_cell_volume [161.0398]
_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
[
  Sc  Sc0  1  0.0000  0.0000  0.5000  1.0
  Pd  Pd1  6  0.0200  0.3338  0.1983  1.0
  H  H2  6  0.1500  0.7088  0.3027  1.0
  Pd  Pd3  2  0.3333  0.6667  0.6185  1.0
]