# generated using pymatgen
data_Lu3Pu(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48176244
_cell_length_b   7.48450322
_cell_length_c   9.36748281
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.48541267
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu3Pu(Al3Ir)6
_chemical_formula_sum   'Lu3 Pu1 Al18 Ir6'
_cell_volume   456.61388498
_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
  Lu  Lu0  1  0.00481143  0.32859439  0.75000000  1.0
  Lu  Lu1  1  0.67286956  0.99581194  0.25000000  1.0
  Lu  Lu2  1  0.32703754  0.00295747  0.75000000  1.0
  Pu  Pu3  1  0.99547116  0.67478751  0.25000000  1.0
  Al  Al4  1  0.13196971  0.13297475  0.25000000  1.0
  Al  Al5  1  0.87258051  0.87295392  0.75000000  1.0
  Al  Al6  1  0.00086849  0.33515664  0.07329690  1.0
  Al  Al7  1  0.99841203  0.66382012  0.92379985  1.0
  Al  Al8  1  0.99841203  0.66382012  0.57620015  1.0
  Al  Al9  1  0.33716453  0.00228995  0.42657083  1.0
  Al  Al10  1  0.00086849  0.33515664  0.42670310  1.0
  Al  Al11  1  0.66476224  0.99915259  0.57558492  1.0
  Al  Al12  1  0.66476224  0.99915259  0.92441508  1.0
  Al  Al13  1  0.33716453  0.00228995  0.07342917  1.0
  Al  Al14  1  0.33235877  0.33236095  0.55421952  1.0
  Al  Al15  1  0.66467333  0.66581905  0.45073794  1.0
  Al  Al16  1  0.66467333  0.66581905  0.04926206  1.0
  Al  Al17  1  0.33235877  0.33236095  0.94578048  1.0
  Al  Al18  1  0.34046382  0.54880854  0.25000000  1.0
  Al  Al19  1  0.66009106  0.44841348  0.75000000  1.0
  Al  Al20  1  0.55020729  0.34004740  0.25000000  1.0
  Al  Al21  1  0.45101908  0.66058287  0.75000000  1.0
  Ir  Ir22  1  0.67091348  0.32573451  0.99891796  1.0
  Ir  Ir23  1  0.32768293  0.67222757  0.99921750  1.0
  Ir  Ir24  1  0.32768293  0.67222757  0.50078250  1.0
  Ir  Ir25  1  0.67091348  0.32573451  0.50108204  1.0
  Ir  Ir26  1  0.99990512  0.00047148  0.00007158  1.0
  Ir  Ir27  1  0.99990512  0.00047148  0.49992842  1.0