data_[Sc1Pd5Au5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.6550]
_cell_length_b [5.7999]
_cell_length_c [6.2666]
_cell_angle_alpha [76.5617]
_cell_angle_beta [78.6657]
_cell_angle_gamma [89.3649]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sc(PdAu)5]
_chemical_formula_sum '[Sc1 Pd5 Au5]'
_cell_volume [195.8802]
_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  0.0000  1
  Pd  Pd1  2  0.1632  0.6672  0.3305  1
  Pd  Pd2  2  0.1636  0.1646  0.3293  1
  Pd  Pd3  1  0.5000  0.0000  0.0000  1
  Au  Au4  2  0.3374  0.3357  0.6780  1
  Au  Au5  2  0.3396  0.8291  0.6717  1
  Au  Au6  1  0.0000  0.5000  0.0000  1
]