# generated using pymatgen
data_Zr3Al2AuO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.65560856
_cell_length_b   8.65560952
_cell_length_c   8.65560781
_cell_angle_alpha   59.99999906
_cell_angle_beta   59.99999538
_cell_angle_gamma   60.00000060
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Al2AuO
_chemical_formula_sum   'Zr12 Al8 Au4 O4'
_cell_volume   458.54062624
_cell_formula_units_Z   4
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  0.56565252  0.93434748  0.56565252  1.0
  Zr  Zr1  1  0.31565252  0.68434748  0.68434748  1.0
  Zr  Zr2  1  0.68434748  0.31565252  0.31565252  1.0
  Zr  Zr3  1  0.31565252  0.68434748  0.31565252  1.0
  Zr  Zr4  1  0.68434748  0.68434748  0.31565252  1.0
  Zr  Zr5  1  0.31565252  0.31565252  0.68434748  1.0
  Zr  Zr6  1  0.56565252  0.56565252  0.93434748  1.0
  Zr  Zr7  1  0.93434748  0.56565252  0.56565252  1.0
  Zr  Zr8  1  0.56565252  0.93434748  0.93434748  1.0
  Zr  Zr9  1  0.93434748  0.93434748  0.56565252  1.0
  Zr  Zr10  1  0.68434748  0.31565252  0.68434748  1.0
  Zr  Zr11  1  0.93434748  0.56565252  0.93434748  1.0
  Al  Al12  1  0.33339240  0.33339240  0.33339240  1.0
  Al  Al13  1  0.25017620  0.91660760  0.91660760  1.0
  Al  Al14  1  0.91660760  0.25017620  0.91660760  1.0
  Al  Al15  1  0.91660760  0.91660760  0.25017620  1.0
  Al  Al16  1  0.33339240  0.99982380  0.33339240  1.0
  Al  Al17  1  0.33339240  0.33339240  0.99982380  1.0
  Al  Al18  1  0.99982380  0.33339240  0.33339240  1.0
  Al  Al19  1  0.91660760  0.91660760  0.91660760  1.0
  Au  Au20  1  0.12500000  0.12500000  0.12500000  1.0
  Au  Au21  1  0.62500000  0.12500000  0.12500000  1.0
  Au  Au22  1  0.12500000  0.62500000  0.12500000  1.0
  Au  Au23  1  0.12500000  0.12500000  0.62500000  1.0
  O  O24  1  0.62500000  0.62500000  0.62500000  1.0
  O  O25  1  0.12500000  0.62500000  0.62500000  1.0
  O  O26  1  0.62500000  0.12500000  0.62500000  1.0
  O  O27  1  0.62500000  0.62500000  0.12500000  1.0