# generated using pymatgen
data_PrZr3(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.47577537
_cell_length_b   7.46140513
_cell_length_c   9.29169872
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.69756713
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrZr3(Al3Ir)6
_chemical_formula_sum   'Pr1 Zr3 Al18 Ir6'
_cell_volume   450.21305519
_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  0.32971769  0.00713820  0.75000000  1.0
  Zr  Zr1  1  0.99321440  0.67172874  0.25000000  1.0
  Zr  Zr2  1  0.00689427  0.32971811  0.75000000  1.0
  Zr  Zr3  1  0.67223560  0.99408897  0.25000000  1.0
  Al  Al4  1  0.12250876  0.12473931  0.25000000  1.0
  Al  Al5  1  0.86835603  0.87472655  0.75000000  1.0
  Al  Al6  1  0.99801254  0.33472231  0.07651250  1.0
  Al  Al7  1  0.99774262  0.66162877  0.92956396  1.0
  Al  Al8  1  0.99774262  0.66162877  0.57043604  1.0
  Al  Al9  1  0.33514033  0.99863906  0.41813723  1.0
  Al  Al10  1  0.99801254  0.33472231  0.42348750  1.0
  Al  Al11  1  0.66912741  0.00095817  0.57066144  1.0
  Al  Al12  1  0.66912741  0.00095817  0.92933856  1.0
  Al  Al13  1  0.33514033  0.99863906  0.08186277  1.0
  Al  Al14  1  0.33211863  0.33543753  0.54876654  1.0
  Al  Al15  1  0.66763368  0.66768712  0.44084986  1.0
  Al  Al16  1  0.66763368  0.66768712  0.05915014  1.0
  Al  Al17  1  0.33211863  0.33543753  0.95123346  1.0
  Al  Al18  1  0.33784036  0.55279456  0.25000000  1.0
  Al  Al19  1  0.67013891  0.45591200  0.75000000  1.0
  Al  Al20  1  0.55393970  0.33997062  0.25000000  1.0
  Al  Al21  1  0.44704319  0.65213506  0.75000000  1.0
  Ir  Ir22  1  0.67346704  0.32869246  0.00253713  1.0
  Ir  Ir23  1  0.32812247  0.67257587  0.00269845  1.0
  Ir  Ir24  1  0.32812247  0.67257587  0.49730155  1.0
  Ir  Ir25  1  0.67346704  0.32869246  0.49746287  1.0
  Ir  Ir26  1  0.99769182  0.99818216  0.00295944  1.0
  Ir  Ir27  1  0.99769182  0.99818216  0.49704056  1.0