data_[Sc1H6Pd2Rh1]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.8349]
_cell_length_b [4.8637]
_cell_length_c [5.1048]
_cell_angle_alpha [61.6385]
_cell_angle_beta [84.5487]
_cell_angle_gamma [60.5043]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [ScH6Pd2Rh]
_chemical_formula_sum '[Sc1 H6 Pd2 Rh1]'
_cell_volume [90.4176]
_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  0.5852  0.8843  0.6412  1.0
  H  H1  1  0.0060  0.6323  0.1407  1.0
  H  H2  1  0.0551  0.3996  0.6878  1.0
  H  H3  1  0.1405  0.8594  0.6851  1.0
  H  H4  1  0.2729  0.9256  0.1847  1.0
  Pd  Pd5  1  0.3195  0.3415  0.9999  1.0
  H  H6  1  0.5916  0.3287  0.6576  1.0
  Pd  Pd7  1  0.6698  0.5438  0.2617  1.0
  H  H8  1  0.7284  0.2039  0.1528  1.0
  Rh  Rh9  1  0.9681  0.0664  0.8910  1.0
]