data_[Sc4Pd6Au8]
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 [C2/m]
_cell_length_a [9.3724]
_cell_length_b [4.1051]
_cell_length_c [8.6568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6244]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc2Pd3Au4]
_chemical_formula_sum '[Sc4 Pd6 Au8]'
_cell_volume [311.7166]
_cell_formula_units_Z [2]
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  4  0.1720  0.5000  0.2327  1
  Pd  Pd1  4  0.1666  0.5000  0.5568  1
  Pd  Pd2  2  0.0000  0.0000  0.0000  1
  Au  Au3  4  0.0050  0.0000  0.3343  1
  Au  Au4  4  0.1649  0.5000  0.8898  1
]