# generated using pymatgen
data_Pr3Th(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.59332639
_cell_length_b   7.59812849
_cell_length_c   9.56438395
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.45591377
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr3Th(Al3Ir)6
_chemical_formula_sum   'Pr3 Th1 Al18 Ir6'
_cell_volume   480.48670218
_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  0.00436228  0.32917044  0.75000000  1.0
  Pr  Pr1  1  0.67083298  0.99475072  0.25000000  1.0
  Pr  Pr2  1  0.32951629  0.00487747  0.75000000  1.0
  Th  Th3  1  0.99561288  0.67092922  0.25000000  1.0
  Al  Al4  1  0.13394244  0.13345117  0.25000000  1.0
  Al  Al5  1  0.86796505  0.86904496  0.75000000  1.0
  Al  Al6  1  0.00352780  0.33281366  0.07139360  1.0
  Al  Al7  1  0.99638509  0.66476120  0.92551936  1.0
  Al  Al8  1  0.99638509  0.66476120  0.57448064  1.0
  Al  Al9  1  0.33774375  0.00568436  0.42868960  1.0
  Al  Al10  1  0.00352780  0.33281366  0.42860640  1.0
  Al  Al11  1  0.66502202  0.99701053  0.57162250  1.0
  Al  Al12  1  0.66502202  0.99701053  0.92837750  1.0
  Al  Al13  1  0.33774375  0.00568436  0.07131040  1.0
  Al  Al14  1  0.33457160  0.33460528  0.54528755  1.0
  Al  Al15  1  0.66319469  0.66481060  0.45647648  1.0
  Al  Al16  1  0.66319469  0.66481060  0.04352352  1.0
  Al  Al17  1  0.33457160  0.33460528  0.95471245  1.0
  Al  Al18  1  0.34010882  0.54454461  0.25000000  1.0
  Al  Al19  1  0.65935281  0.45404123  0.75000000  1.0
  Al  Al20  1  0.54408304  0.34007423  0.25000000  1.0
  Al  Al21  1  0.45373310  0.66064995  0.75000000  1.0
  Ir  Ir22  1  0.67282789  0.33094411  0.00159581  1.0
  Ir  Ir23  1  0.32723863  0.67095421  0.00162427  1.0
  Ir  Ir24  1  0.32723863  0.67095421  0.49837573  1.0
  Ir  Ir25  1  0.67282789  0.33094411  0.49840419  1.0
  Ir  Ir26  1  0.99973619  0.99764955  0.00199177  1.0
  Ir  Ir27  1  0.99973619  0.99764955  0.49800823  1.0