# generated using pymatgen
data_PrTh3(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.61593290
_cell_length_b   7.62083291
_cell_length_c   9.49733227
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.44015511
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrTh3(Al3Ir)6
_chemical_formula_sum   'Pr1 Th3 Al18 Ir6'
_cell_volume   480.04316250
_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  0.32922030  0.00632169  0.75000000  1.0
  Th  Th1  1  0.99456988  0.67142307  0.25000000  1.0
  Th  Th2  1  0.00444405  0.32909251  0.75000000  1.0
  Th  Th3  1  0.67092666  0.99407123  0.25000000  1.0
  Al  Al4  1  0.13528328  0.13411045  0.25000000  1.0
  Al  Al5  1  0.86724165  0.86784181  0.75000000  1.0
  Al  Al6  1  0.00624404  0.33581358  0.07397535  1.0
  Al  Al7  1  0.99704260  0.66718367  0.92559421  1.0
  Al  Al8  1  0.99704260  0.66718367  0.57440579  1.0
  Al  Al9  1  0.33567993  0.00550379  0.42892584  1.0
  Al  Al10  1  0.00624404  0.33581358  0.42602465  1.0
  Al  Al11  1  0.66176397  0.99424530  0.57426249  1.0
  Al  Al12  1  0.66176397  0.99424530  0.92573751  1.0
  Al  Al13  1  0.33567993  0.00550379  0.07107416  1.0
  Al  Al14  1  0.33637051  0.33476885  0.54738290  1.0
  Al  Al15  1  0.66289521  0.66275091  0.45525480  1.0
  Al  Al16  1  0.66289521  0.66275091  0.04474520  1.0
  Al  Al17  1  0.33637051  0.33476885  0.95261710  1.0
  Al  Al18  1  0.34174710  0.54436311  0.25000000  1.0
  Al  Al19  1  0.65897256  0.45356367  0.75000000  1.0
  Al  Al20  1  0.54473945  0.34031703  0.25000000  1.0
  Al  Al21  1  0.45368794  0.65903028  0.75000000  1.0
  Ir  Ir22  1  0.67458407  0.32905023  0.00143792  1.0
  Ir  Ir23  1  0.32736235  0.67105341  0.00163233  1.0
  Ir  Ir24  1  0.32736235  0.67105341  0.49836767  1.0
  Ir  Ir25  1  0.67458407  0.32905023  0.49856208  1.0
  Ir  Ir26  1  0.99764088  0.99956432  0.00198728  1.0
  Ir  Ir27  1  0.99764088  0.99956432  0.49801272  1.0