# generated using pymatgen
data_NdPa3(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.59129709
_cell_length_b   7.58671283
_cell_length_c   9.35635251
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.52720778
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdPa3(Al3Ir)6
_chemical_formula_sum   'Nd1 Pa3 Al18 Ir6'
_cell_volume   468.87409687
_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
  Nd  Nd0  1  0.32817006  0.00526639  0.75000000  1.0
  Pa  Pa1  1  0.99626270  0.67655660  0.25000000  1.0
  Pa  Pa2  1  0.99930704  0.32410700  0.75000000  1.0
  Pa  Pa3  1  0.67847603  0.99910081  0.25000000  1.0
  Al  Al4  1  0.13598830  0.13651171  0.25000000  1.0
  Al  Al5  1  0.86826977  0.86876479  0.75000000  1.0
  Al  Al6  1  0.00470768  0.33724860  0.07413124  1.0
  Al  Al7  1  0.99772583  0.66513281  0.92688887  1.0
  Al  Al8  1  0.99772583  0.66513281  0.57311113  1.0
  Al  Al9  1  0.33637228  0.00314394  0.42472292  1.0
  Al  Al10  1  0.00470768  0.33724860  0.42586876  1.0
  Al  Al11  1  0.66198857  0.99517684  0.57520409  1.0
  Al  Al12  1  0.66198857  0.99517684  0.92479591  1.0
  Al  Al13  1  0.33637228  0.00314394  0.07527708  1.0
  Al  Al14  1  0.33405526  0.33313214  0.54871794  1.0
  Al  Al15  1  0.66288456  0.66298012  0.45384444  1.0
  Al  Al16  1  0.66288456  0.66298012  0.04615556  1.0
  Al  Al17  1  0.33405526  0.33313214  0.95128206  1.0
  Al  Al18  1  0.34422128  0.55015345  0.25000000  1.0
  Al  Al19  1  0.66082472  0.45313289  0.75000000  1.0
  Al  Al20  1  0.54826925  0.34259732  0.25000000  1.0
  Al  Al21  1  0.44867792  0.65449075  0.75000000  1.0
  Ir  Ir22  1  0.67405535  0.32773669  0.00168532  1.0
  Ir  Ir23  1  0.32741847  0.67143270  0.00172935  1.0
  Ir  Ir24  1  0.32741847  0.67143270  0.49827065  1.0
  Ir  Ir25  1  0.67405535  0.32773669  0.49831468  1.0
  Ir  Ir26  1  0.99655696  0.99867580  0.00335279  1.0
  Ir  Ir27  1  0.99655696  0.99867580  0.49664721  1.0