# generated using pymatgen
data_Zr2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.30035571
_cell_length_b   3.30035724
_cell_length_c   6.27553537
_cell_angle_alpha   105.24545087
_cell_angle_beta   105.24544481
_cell_angle_gamma   89.99998618
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Au
_chemical_formula_sum   'Zr2 Au1'
_cell_volume   63.45312380
_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
  Zr  Zr0  1  0.65970026  0.65970026  0.31939851  1.0
  Zr  Zr1  1  0.34029974  0.34029974  0.68060149  1.0
  Au  Au2  1  0.00000000  0.00000000  0.00000000  1.0