# generated using pymatgen
data_Pr3Nd(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.58005798
_cell_length_b   7.58201396
_cell_length_c   9.59387007
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.43023604
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr3Nd(Al3Ir)6
_chemical_formula_sum   'Pr3 Nd1 Al18 Ir6'
_cell_volume   480.22688762
_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  0.99535208  0.67075720  0.25000000  1.0
  Pr  Pr1  1  0.00453681  0.32913401  0.75000000  1.0
  Pr  Pr2  1  0.67084417  0.99532699  0.25000000  1.0
  Nd  Nd3  1  0.32900783  0.00450789  0.75000000  1.0
  Al  Al4  1  0.13213896  0.13186328  0.25000000  1.0
  Al  Al5  1  0.86873082  0.86823319  0.75000000  1.0
  Al  Al6  1  0.00368785  0.33519555  0.07142747  1.0
  Al  Al7  1  0.99694675  0.66522068  0.92798127  1.0
  Al  Al8  1  0.99694675  0.66522068  0.57201873  1.0
  Al  Al9  1  0.33517313  0.00352407  0.42918157  1.0
  Al  Al10  1  0.00368785  0.33519555  0.42857253  1.0
  Al  Al11  1  0.66433643  0.99655635  0.57201633  1.0
  Al  Al12  1  0.66433643  0.99655635  0.92798367  1.0
  Al  Al13  1  0.33517313  0.00352407  0.07081843  1.0
  Al  Al14  1  0.33481094  0.33446997  0.54487314  1.0
  Al  Al15  1  0.66520530  0.66521301  0.45663347  1.0
  Al  Al16  1  0.66520530  0.66521301  0.04336653  1.0
  Al  Al17  1  0.33481094  0.33446997  0.95512686  1.0
  Al  Al18  1  0.33945488  0.54551937  0.25000000  1.0
  Al  Al19  1  0.65974071  0.45363788  0.75000000  1.0
  Al  Al20  1  0.54547765  0.33918465  0.25000000  1.0
  Al  Al21  1  0.45427724  0.66130623  0.75000000  1.0
  Ir  Ir22  1  0.67095610  0.32884781  0.99976905  1.0
  Ir  Ir23  1  0.32892064  0.67114491  0.99977425  1.0
  Ir  Ir24  1  0.32892064  0.67114491  0.50022575  1.0
  Ir  Ir25  1  0.67095610  0.32884781  0.50023095  1.0
  Ir  Ir26  1  0.00018179  0.00009131  0.99971679  1.0
  Ir  Ir27  1  0.00018179  0.00009131  0.50028321  1.0