# generated using pymatgen
data_YAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.00048911
_cell_length_b   5.10345142
_cell_length_c   6.22791951
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAu3
_chemical_formula_sum   'Y2 Au6'
_cell_volume   158.93496915
_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
  Y  Y0  1  0.75000000  0.34451764  0.75000000  1.0
  Y  Y1  1  0.25000000  0.65548236  0.25000000  1.0
  Au  Au2  1  0.75000000  0.83860764  0.00770612  1.0
  Au  Au3  1  0.75000000  0.83860764  0.49229388  1.0
  Au  Au4  1  0.25000000  0.16139236  0.99229388  1.0
  Au  Au5  1  0.25000000  0.16139236  0.50770612  1.0
  Au  Au6  1  0.25000000  0.66908971  0.75000000  1.0
  Au  Au7  1  0.75000000  0.33091029  0.25000000  1.0