[CIF]
data_Ba2ScAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26501083
_cell_length_b   7.25753829
_cell_length_c   7.25753829
_cell_angle_alpha   44.07413756
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2ScAu
_chemical_formula_sum   'Ba2 Sc1 Au1'
_cell_volume   156.26123394
_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
  Au  Au0  1  2.13250541  -0.00000000  7.42243167  1
  Ba  Ba1  1  0.00000000  -0.00000000  13.31787015  1
  Ba  Ba2  1  2.13250541  -0.00000000  3.91936741  1
  Sc  Sc3  1  0.00000000  -0.00000000  9.10862677  1
[/CIF]
