[CIF]
data_Sc3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22512752
_cell_length_b   6.22512752
_cell_length_c   15.10432344
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Au
_chemical_formula_sum   'Sc18 Au6'
_cell_volume   506.90714616
_cell_formula_units_Z   6
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
  Au  Au0  1  0.00000000  0.00000000  11.32824258  1
  Au  Au1  1  0.00000000  0.00000000  3.77608086  1
  Au  Au2  1  -0.00000000  3.59407905  1.24460063  1
  Au  Au3  1  -0.00000000  3.59407905  6.30756109  1
  Au  Au4  1  3.11256376  1.79703953  13.85972281  1
  Au  Au5  1  3.11256376  1.79703953  8.79676235  1
  Sc  Sc6  1  4.61393227  2.66385504  11.32824258  1
  Sc  Sc7  1  -1.50136851  2.72726354  3.77608086  1
  Sc  Sc8  1  0.00000000  1.79449264  13.83483979  1
  Sc  Sc9  1  0.00000000  1.79449264  8.82164537  1
  Sc  Sc10  1  -1.55848755  4.49387226  13.83483979  1
  Sc  Sc11  1  -1.55848755  4.49387226  8.82164537  1
  Sc  Sc12  1  1.55407621  0.89724632  1.26948365  1
  Sc  Sc13  1  1.55407621  0.89724632  6.28267807  1
  Sc  Sc14  1  3.11256376  0.06340850  11.32824258  1
  Sc  Sc15  1  -0.00000000  5.32771007  3.77608086  1
  Sc  Sc16  1  1.61119526  2.66385504  11.32824258  1
  Sc  Sc17  1  1.50136851  2.72726354  3.77608086  1
  Sc  Sc18  1  1.55848755  4.49387226  13.83483979  1
  Sc  Sc19  1  1.55848755  4.49387226  8.82164537  1
  Sc  Sc20  1  4.67105132  0.89724632  1.26948365  1
  Sc  Sc21  1  4.67105132  0.89724632  6.28267807  1
  Sc  Sc22  1  3.11256376  3.59662594  1.26948365  1
  Sc  Sc23  1  3.11256376  3.59662594  6.28267807  1
[/CIF]
