# generated using pymatgen
data_ScAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91861590
_cell_length_b   5.91861522
_cell_length_c   4.77585005
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000380
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAu3
_chemical_formula_sum   'Sc2 Au6'
_cell_volume   144.88437804
_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  1  0.33333400  0.66666800  0.75000000  1.0
  Sc  Sc1  1  0.66666600  0.33333300  0.25000000  1.0
  Au  Au2  1  0.16715553  0.33431105  0.25000000  1.0
  Au  Au3  1  0.66568895  0.83284547  0.25000000  1.0
  Au  Au4  1  0.16715453  0.83284547  0.25000000  1.0
  Au  Au5  1  0.83284447  0.66568995  0.75000000  1.0
  Au  Au6  1  0.33431205  0.16715553  0.75000000  1.0
  Au  Au7  1  0.83284347  0.16715553  0.75000000  1.0