# generated using pymatgen
data_CuAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63869812
_cell_length_b   5.63869812
_cell_length_c   4.70413081
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999056
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAu3
_chemical_formula_sum   'Cu2 Au6'
_cell_volume   129.52922015
_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
  Cu  Cu0  1  0.33333300  0.66666700  0.75000000  1.0
  Cu  Cu1  1  0.66666700  0.33333300  0.25000000  1.0
  Au  Au2  1  0.16935782  0.33871464  0.25000000  1.0
  Au  Au3  1  0.66128536  0.83064218  0.25000000  1.0
  Au  Au4  1  0.16935782  0.83064218  0.25000000  1.0
  Au  Au5  1  0.83064218  0.66128536  0.75000000  1.0
  Au  Au6  1  0.33871464  0.16935782  0.75000000  1.0
  Au  Au7  1  0.83064218  0.16935782  0.75000000  1.0