# generated using pymatgen
data_ScGeAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32577329
_cell_length_b   4.32577397
_cell_length_c   6.91540042
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001014
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGeAu
_chemical_formula_sum   'Sc2 Ge2 Au2'
_cell_volume   112.06641973
_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  -0.00000000  0.00000000  0.00198724  1.0
  Sc  Sc1  1  -0.00000000  0.00000000  0.50198724  1.0
  Ge  Ge2  1  0.33333300  0.66666700  0.29977945  1.0
  Ge  Ge3  1  0.66666700  0.33333300  0.79977945  1.0
  Au  Au4  1  0.33333300  0.66666700  0.69743332  1.0
  Au  Au5  1  0.66666700  0.33333300  0.19743332  1.0