# generated using pymatgen
data_Zr3AlIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.53165400
_cell_length_b   8.53164258
_cell_length_c   8.53165046
_cell_angle_alpha   59.99997126
_cell_angle_beta   59.99998511
_cell_angle_gamma   60.00007788
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3AlIr2
_chemical_formula_sum   'Zr12 Al4 Ir8'
_cell_volume   439.12084763
_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  0.80481564  0.80481664  0.19518336  1.0
  Zr  Zr1  1  0.19518436  0.19518336  0.80481564  1.0
  Zr  Zr2  1  0.80481664  0.19518336  0.80481564  1.0
  Zr  Zr3  1  0.19518336  0.80481664  0.19518336  1.0
  Zr  Zr4  1  0.19518436  0.80481664  0.80481564  1.0
  Zr  Zr5  1  0.80481664  0.19518336  0.19518336  1.0
  Zr  Zr6  1  0.44518436  0.44518336  0.05481664  1.0
  Zr  Zr7  1  0.05481564  0.05481664  0.44518436  1.0
  Zr  Zr8  1  0.44518336  0.05481664  0.44518436  1.0
  Zr  Zr9  1  0.05481664  0.44518336  0.05481664  1.0
  Zr  Zr10  1  0.05481564  0.44518336  0.44518436  1.0
  Zr  Zr11  1  0.44518336  0.05481664  0.05481664  1.0
  Al  Al12  1  0.12500000  0.62500000  0.62500000  1.0
  Al  Al13  1  0.62500000  0.12500000  0.62500000  1.0
  Al  Al14  1  0.62500000  0.62500000  0.12500000  1.0
  Al  Al15  1  0.62500000  0.62500000  0.62500000  1.0
  Ir  Ir16  1  0.76055614  0.41314862  0.41314762  1.0
  Ir  Ir17  1  0.41314762  0.76055614  0.41314762  1.0
  Ir  Ir18  1  0.41314762  0.41314762  0.76055614  1.0
  Ir  Ir19  1  0.41314762  0.41314762  0.41314762  1.0
  Ir  Ir20  1  0.48944386  0.83685138  0.83685238  1.0
  Ir  Ir21  1  0.83685238  0.48944386  0.83685238  1.0
  Ir  Ir22  1  0.83685238  0.83685238  0.48944386  1.0
  Ir  Ir23  1  0.83685238  0.83685238  0.83685238  1.0