# generated using pymatgen
data_Zr3Al3IrAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.78462480
_cell_length_b   6.78462531
_cell_length_c   4.09672234
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999275
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Al3IrAu2
_chemical_formula_sum   'Zr3 Al3 Ir1 Au2'
_cell_volume   163.31230063
_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  0.00000000  0.40564514  0.50000000  1.0
  Zr  Zr1  1  0.59435486  0.59435486  0.50000000  1.0
  Zr  Zr2  1  0.40564514  0.00000000  0.50000000  1.0
  Al  Al3  1  1.00000000  0.75975682  0.00000000  1.0
  Al  Al4  1  0.24024318  0.24024318  0.00000000  1.0
  Al  Al5  1  0.75975682  1.00000000  0.00000000  1.0
  Ir  Ir6  1  0.00000000  0.00000000  0.50000000  1.0
  Au  Au7  1  0.33333300  0.66666700  0.00000000  1.0
  Au  Au8  1  0.66666700  0.33333300  0.00000000  1.0