# generated using pymatgen
data_PrU3(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.56244317
_cell_length_b   7.58663643
_cell_length_c   9.42425731
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.43866920
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrU3(Al3Ir)6
_chemical_formula_sum   'Pr1 U3 Al18 Ir6'
_cell_volume   470.88840269
_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
  Pr  Pr0  1  0.99493756  0.67001342  0.75000000  1.0
  U  U1  1  0.00388154  0.32547567  0.25000000  1.0
  U  U2  1  0.66968234  0.99366062  0.75000000  1.0
  U  U3  1  0.32941468  0.00397189  0.25000000  1.0
  Al  Al4  1  0.12982715  0.13161709  0.75000000  1.0
  Al  Al5  1  0.86632869  0.86873502  0.25000000  1.0
  Al  Al6  1  0.00349146  0.33519713  0.57113728  1.0
  Al  Al7  1  0.99763955  0.66501703  0.42333199  1.0
  Al  Al8  1  0.99763955  0.66501703  0.07666801  1.0
  Al  Al9  1  0.33576110  0.00306917  0.92840997  1.0
  Al  Al10  1  0.00349146  0.33519713  0.92886272  1.0
  Al  Al11  1  0.66232682  0.99705770  0.07310748  1.0
  Al  Al12  1  0.66232682  0.99705770  0.42689252  1.0
  Al  Al13  1  0.33576110  0.00306917  0.57159003  1.0
  Al  Al14  1  0.33641104  0.33601517  0.04918492  1.0
  Al  Al15  1  0.66602407  0.66679588  0.95174010  1.0
  Al  Al16  1  0.66602407  0.66679588  0.54825990  1.0
  Al  Al17  1  0.33641104  0.33601517  0.45081508  1.0
  Al  Al18  1  0.34293284  0.54725495  0.75000000  1.0
  Al  Al19  1  0.65928806  0.45391293  0.25000000  1.0
  Al  Al20  1  0.54580881  0.33783155  0.75000000  1.0
  Al  Al21  1  0.45126384  0.65883440  0.25000000  1.0
  Ir  Ir22  1  0.67237760  0.32807139  0.49850542  1.0
  Ir  Ir23  1  0.32761719  0.67066852  0.49797752  1.0
  Ir  Ir24  1  0.32761719  0.67066852  0.00202248  1.0
  Ir  Ir25  1  0.67237760  0.32807139  0.00149458  1.0
  Ir  Ir26  1  0.00166990  0.00245274  0.49677213  1.0
  Ir  Ir27  1  0.00166990  0.00245274  0.00322787  1.0