# generated using pymatgen
data_Sc2RuAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65088915
_cell_length_b   4.65104680
_cell_length_c   4.65271940
_cell_angle_alpha   60.04117297
_cell_angle_beta   59.97701208
_cell_angle_gamma   60.00087923
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2RuAu
_chemical_formula_sum   'Sc2 Ru1 Au1'
_cell_volume   71.17719175
_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
  Sc  Sc0  1  0.00029473  0.99987118  0.99978751  1.0
  Sc  Sc1  1  0.49971048  0.50012115  0.50020209  1.0
  Ru  Ru2  1  0.74998975  0.75001307  0.75000712  1.0
  Au  Au3  1  0.25000204  0.24999361  0.25000129  1.0