# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94324066
_cell_length_b   14.31100641
_cell_length_c   50.14233206
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.04792989
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al54 Ni36'
_cell_volume   2802.40995692
_cell_formula_units_Z   18
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
  Al  Al1  1  0.179269  0.650479  0.290210  1
  Al  Al2  1  0.759436  0.490232  0.345433  1
  Al  Al3  1  0.468247  0.072360  0.318395  1
  Al  Al4  1  0.762586  0.484168  0.289807  1
  Al  Al5  1  0.330602  0.347525  0.330433  1
  Al  Al6  1  0.039070  0.930666  0.306769  1
  Al  Al7  1  0.191084  0.626883  0.351038  1
  Al  Al8  1  0.898155  0.212449  0.327797  1
  Al  Al9  1  0.608143  0.792654  0.301824  1
  Al  Al10  1  0.058616  0.891693  0.364293  1
  Al  Al11  1  0.645373  0.718241  0.413207  1
  Al  Al12  1  0.354058  0.300885  0.387902  1
  Al  Al13  1  0.628142  0.752554  0.355897  1
  Al  Al14  1  0.216142  0.576672  0.403737  1
  Al  Al15  1  0.922922  0.163053  0.379743  1
  Al  Al16  1  0.075128  0.858793  0.422024  1
  Al  Al17  1  0.782447  0.444303  0.399288  1
  Al  Al18  1  0.487841  0.033362  0.374089  1
  Al  Al19  1  0.940203  0.128579  0.436730  1
  Al  Al20  1  0.528194  0.952602  0.484397  1
  Al  Al21  1  0.234302  0.540421  0.460530  1
  Al  Al22  1  0.510586  0.987687  0.427461  1
  Al  Al23  1  0.098516  0.811862  0.475224  1
  Al  Al24  1  0.804955  0.398990  0.451542  1
  Al  Al25  1  0.957798  0.093504  0.493693  1
  Al  Al26  1  0.663683  0.681741  0.469896  1
  Al  Al27  1  0.369690  0.269703  0.445639  1
  Al  Al28  1  0.822351  0.364317  0.508259  1
  Al  Al29  1  0.410342  0.188339  0.555926  1
  Al  Al30  1  0.116243  0.776497  0.532125  1
  Al  Al31  1  0.392747  0.223414  0.498962  1
  Al  Al32  1  0.980855  0.047215  0.547016  1
  Al  Al33  1  0.686862  0.635177  0.522759  1
  Al  Al34  1  0.839959  0.329231  0.565194  1
  Al  Al35  1  0.545589  0.917928  0.541114  1
  Al  Al36  1  0.252028  0.505056  0.517431  1
  Al  Al37  1  0.705171  0.598678  0.579448  1
  Al  Al38  1  0.291929  0.425225  0.628362  1
  Al  Al39  1  0.996486  0.016034  0.604753  1
  Al  Al40  1  0.275417  0.458125  0.570631  1
  Al  Al41  1  0.862704  0.283557  0.618566  1
  Al  Al42  1  0.568098  0.872615  0.593368  1
  Al  Al43  1  0.722402  0.564364  0.636759  1
  Al  Al44  1  0.427622  0.153865  0.612912  1
  Al  Al45  1  0.134403  0.740246  0.588918  1
  Al  Al46  1  0.591109  0.826686  0.647222  1
  Al  Al47  1  0.171275  0.666439  0.702446  1
  Al  Al48  1  0.882298  0.244558  0.674260  1
  Al  Al49  1  0.159461  0.690035  0.641618  1
  Al  Al50  1  0.742402  0.524264  0.690832  1
  Al  Al51  1  0.452389  0.104470  0.664858  1
  Al  Al52  1  0.587959  0.832750  0.702849  1
  Al  Al53  1  0.311474  0.386253  0.685886  1
  Al  Al54  1  0.019942  0.969393  0.662222  1
  Ni  Ni55  1  0.688419  0.632127  0.320059  1
  Ni  Ni56  1  0.392828  0.222923  0.296019  1
  Ni  Ni57  1  0.981745  0.045418  0.344156  1
  Ni  Ni58  1  0.250053  0.509095  0.317391  1
  Ni  Ni59  1  0.953776  0.101295  0.291025  1
  Ni  Ni60  1  0.546646  0.915628  0.337713  1
  Ni  Ni61  1  0.569166  0.870595  0.391670  1
  Ni  Ni62  1  0.276044  0.457022  0.369359  1
  Ni  Ni63  1  0.863976  0.281030  0.415586  1
  Ni  Ni64  1  0.133877  0.741210  0.386562  1
  Ni  Ni65  1  0.839443  0.330087  0.362286  1
  Ni  Ni66  1  0.429128  0.150733  0.409951  1
  Ni  Ni67  1  0.451641  0.105707  0.463429  1
  Ni  Ni68  1  0.157392  0.694218  0.439762  1
  Ni  Ni69  1  0.745801  0.517419  0.487265  1
  Ni  Ni70  1  0.016616  0.975744  0.457727  1
  Ni  Ni71  1  0.722339  0.564352  0.433984  1
  Ni  Ni72  1  0.310913  0.387184  0.481500  1
  Ni  Ni73  1  0.333929  0.341175  0.534928  1
  Ni  Ni74  1  0.039632  0.929734  0.511155  1
  Ni  Ni75  1  0.628206  0.752567  0.558671  1
  Ni  Ni76  1  0.898904  0.211211  0.529226  1
  Ni  Ni77  1  0.604744  0.799499  0.505390  1
  Ni  Ni78  1  0.193153  0.622700  0.552893  1
  Ni  Ni79  1  0.216668  0.575708  0.606094  1
  Ni  Ni80  1  0.921417  0.166185  0.582704  1
  Ni  Ni81  1  0.511102  0.986832  0.630370  1
  Ni  Ni82  1  0.781379  0.446324  0.600985  1
  Ni  Ni83  1  0.486569  0.035888  0.577070  1
  Ni  Ni84  1  0.074501  0.859896  0.623296  1
  Ni  Ni85  1  0.100492  0.807823  0.675264  1
  Ni  Ni86  1  0.803899  0.401290  0.654943  1
  Ni  Ni87  1  0.396769  0.215623  0.701631  1
  Ni  Ni88  1  0.662126  0.684791  0.672597  1
  Ni  Ni89  1  0.368800  0.271500  0.648500  1
  Ni  Ni90  1  0.957717  0.093996  0.696636  1
