# generated using pymatgen
data_Pu12Al21ReIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.62133627
_cell_length_b   9.62133686
_cell_length_c   8.68472619
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998765
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pu12Al21ReIr2
_chemical_formula_sum   'Pu12 Al21 Re1 Ir2'
_cell_volume   696.23785190
_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
  Pu  Pu0  1  0.33243434  0.99951794  0.06553732  1.0
  Pu  Pu1  1  0.66708360  0.99951794  0.93446268  1.0
  Pu  Pu2  1  0.00048206  0.33291640  0.06553732  1.0
  Pu  Pu3  1  0.66204278  0.99669067  0.56598319  1.0
  Pu  Pu4  1  0.00330933  0.33795722  0.43401681  1.0
  Pu  Pu5  1  0.00048206  0.66756566  0.93446268  1.0
  Pu  Pu6  1  0.33464789  0.99669067  0.43401681  1.0
  Pu  Pu7  1  0.00330933  0.66535211  0.56598319  1.0
  Pu  Pu8  1  0.66708360  0.66756566  0.06553732  1.0
  Pu  Pu9  1  0.33243434  0.33291640  0.93446268  1.0
  Pu  Pu10  1  0.33464789  0.33795722  0.56598319  1.0
  Pu  Pu11  1  0.66204278  0.66535211  0.43401681  1.0
  Al  Al12  1  0.16559133  0.49781776  0.74518005  1.0
  Al  Al13  1  0.83931615  0.50764570  0.24941097  1.0
  Al  Al14  1  0.50218224  0.66777358  0.74518005  1.0
  Al  Al15  1  0.49235430  0.16068385  0.75058903  1.0
  Al  Al16  1  0.49235430  0.33167145  0.24941097  1.0
  Al  Al17  1  0.50218224  0.83440867  0.25481995  1.0
  Al  Al18  1  0.33222642  0.83440867  0.74518005  1.0
  Al  Al19  1  0.66832855  0.50764570  0.75058903  1.0
  Al  Al20  1  0.66832855  0.16068385  0.24941097  1.0
  Al  Al21  1  0.33222642  0.49781776  0.25481995  1.0
  Al  Al22  1  0.83931615  0.33167145  0.75058903  1.0
  Al  Al23  1  0.16559133  0.66777358  0.25481995  1.0
  Al  Al24  1  0.66666700  0.33333300  0.50000000  1.0
  Al  Al25  1  0.66666700  0.33333300  0.00000000  1.0
  Al  Al26  1  0.33333300  0.66666700  0.00000000  1.0
  Al  Al27  1  0.16075661  0.99927037  0.74904911  1.0
  Al  Al28  1  0.83851376  0.99927037  0.25095089  1.0
  Al  Al29  1  0.00072963  0.16148624  0.74904911  1.0
  Al  Al30  1  0.00072963  0.83924339  0.25095089  1.0
  Al  Al31  1  0.83851376  0.83924339  0.74904911  1.0
  Al  Al32  1  0.16075661  0.16148624  0.25095089  1.0
  Re  Re33  1  0.33333300  0.66666700  0.50000000  1.0
  Ir  Ir34  1  0.00000000  0.00000000  0.50000000  1.0
  Ir  Ir35  1  0.00000000  0.00000000  0.00000000  1.0