# generated using pymatgen
data_ScAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54418747
_cell_length_b   3.54418703
_cell_length_c   5.05250053
_cell_angle_alpha   110.52027463
_cell_angle_beta   110.52029456
_cell_angle_gamma   89.95628852
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAu2
_chemical_formula_sum   'Sc1 Au2'
_cell_volume   55.12513540
_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  -0.00000011  0.99999912  0.00000010  1.0
  Au  Au1  1  0.66338807  0.66338744  0.32621891  1.0
  Au  Au2  1  0.33661205  0.33661145  0.67378099  1.0