# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.79402718
_cell_length_b   9.15876954
_cell_length_c   48.79927066
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   70.69409257
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al72 Ni24'
_cell_volume   3287.58587072
_cell_formula_units_Z   24
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  0.606615  0.336775  0.328554  1
  Al  Al2  1  0.806194  0.570414  0.317167  1
  Al  Al3  1  0.908521  0.257750  0.289030  1
  Al  Al4  1  0.050015  0.714500  0.296630  1
  Al  Al5  1  0.227060  0.518002  0.337458  1
  Al  Al6  1  0.321476  0.992743  0.346115  1
  Al  Al7  1  0.360669  0.197391  0.305719  1
  Al  Al8  1  0.444766  0.674572  0.315352  1
  Al  Al9  1  0.902828  0.035653  0.325695  1
  Al  Al10  1  0.034893  0.286921  0.342414  1
  Al  Al11  1  0.641890  0.893936  0.306201  1
  Al  Al12  1  0.214328  0.955794  0.293410  1
  Al  Al13  1  0.291873  0.131972  0.399337  1
  Al  Al14  1  0.504180  0.373385  0.388030  1
  Al  Al15  1  0.632254  0.038936  0.358739  1
  Al  Al16  1  0.732049  0.510804  0.368654  1
  Al  Al17  1  0.915750  0.315829  0.408111  1
  Al  Al18  1  0.010756  0.791589  0.417795  1
  Al  Al19  1  0.044852  0.985125  0.378399  1
  Al  Al20  1  0.140683  0.454889  0.387965  1
  Al  Al21  1  0.603656  0.844668  0.398480  1
  Al  Al22  1  0.723705  0.093119  0.413889  1
  Al  Al23  1  0.356781  0.695874  0.376811  1
  Al  Al24  1  0.921257  0.735896  0.361812  1
  Al  Al25  1  0.981746  0.933511  0.471200  1
  Al  Al26  1  0.195901  0.175069  0.459887  1
  Al  Al27  1  0.325507  0.838403  0.429849  1
  Al  Al28  1  0.422878  0.313681  0.439830  1
  Al  Al29  1  0.605671  0.117327  0.479610  1
  Al  Al30  1  0.702334  0.592343  0.489656  1
  Al  Al31  1  0.735988  0.785088  0.450152  1
  Al  Al32  1  0.832578  0.255916  0.459623  1
  Al  Al33  1  0.293630  0.645419  0.469486  1
  Al  Al34  1  0.414609  0.893828  0.485302  1
  Al  Al35  1  0.047493  0.497302  0.448282  1
  Al  Al36  1  0.613757  0.536917  0.434044  1
  Al  Al37  1  0.672177  0.734661  0.542827  1
  Al  Al38  1  0.887093  0.976046  0.531487  1
  Al  Al39  1  0.017337  0.639620  0.501453  1
  Al  Al40  1  0.113999  0.114636  0.511499  1
  Al  Al41  1  0.296793  0.918281  0.551279  1
  Al  Al42  1  0.394164  0.393559  0.561260  1
  Al  Al43  1  0.426041  0.586544  0.521624  1
  Al  Al44  1  0.523769  0.056894  0.531223  1
  Al  Al45  1  0.983682  0.446875  0.540957  1
  Al  Al46  1  0.105914  0.695046  0.557066  1
  Al  Al47  1  0.737924  0.298451  0.519910  1
  Al  Al48  1  0.305061  0.338135  0.505807  1
  Al  Al49  1  0.362889  0.536089  0.614299  1
  Al  Al50  1  0.578987  0.777074  0.603144  1
  Al  Al51  1  0.708914  0.440374  0.573314  1
  Al  Al52  1  0.803921  0.916134  0.582999  1
  Al  Al53  1  0.987622  0.721159  0.622456  1
  Al  Al54  1  0.087416  0.193026  0.632371  1
  Al  Al55  1  0.116014  0.387295  0.592629  1
  Al  Al56  1  0.215490  0.858577  0.603080  1
  Al  Al57  1  0.674818  0.246838  0.612711  1
  Al  Al58  1  0.798413  0.496067  0.629298  1
  Al  Al59  1  0.427798  0.099991  0.591772  1
  Al  Al60  1  0.995966  0.138844  0.577221  1
  Al  Al61  1  0.077780  0.338027  0.684908  1
  Al  Al62  1  0.274904  0.557391  0.675758  1
  Al  Al63  1  0.398194  0.239220  0.644995  1
  Al  Al64  1  0.492611  0.713961  0.653652  1
  Al  Al65  1  0.669655  0.517463  0.694480  1
  Al  Al66  1  0.811149  0.974212  0.702079  1
  Al  Al67  1  0.816842  0.196310  0.665415  1
  Al  Al68  1  0.913477  0.661548  0.673943  1
  Al  Al69  1  0.359001  0.034572  0.685391  1
  Al  Al70  1  0.505342  0.276169  0.697700  1
  Al  Al71  1  0.113055  0.895188  0.662556  1
  Al  Al72  1  0.684778  0.945042  0.648696  1
  Ni  Ni73  1  0.380448  0.464091  0.291181  1
  Ni  Ni74  1  0.090093  0.424670  0.297849  1
  Ni  Ni75  1  0.603821  0.772376  0.350410  1
  Ni  Ni76  1  0.159898  0.809661  0.337875  1
  Ni  Ni77  1  0.350469  0.255352  0.355631  1
  Ni  Ni78  1  0.795904  0.218487  0.368160  1
  Ni  Ni79  1  0.295994  0.574529  0.420390  1
  Ni  Ni80  1  0.853054  0.607732  0.408469  1
  Ni  Ni81  1  0.041476  0.055194  0.427469  1
  Ni  Ni82  1  0.484612  0.022040  0.439521  1
  Ni  Ni83  1  0.987583  0.375585  0.491980  1
  Ni  Ni84  1  0.543575  0.408821  0.480059  1
  Ni  Ni85  1  0.732088  0.856378  0.499130  1
  Ni  Ni86  1  0.176095  0.823142  0.511050  1
  Ni  Ni87  1  0.678194  0.176769  0.563641  1
  Ni  Ni88  1  0.235059  0.209923  0.551589  1
  Ni  Ni89  1  0.423676  0.657434  0.570719  1
  Ni  Ni90  1  0.866616  0.624231  0.582640  1
  Ni  Ni91  1  0.369201  0.976611  0.635479  1
  Ni  Ni92  1  0.923766  0.013476  0.622949  1
  Ni  Ni93  1  0.115850  0.459587  0.640699  1
  Ni  Ni94  1  0.559773  0.422301  0.653235  1
  Ni  Ni95  1  0.339223  0.767872  0.699928  1
  Ni  Ni96  1  0.629577  0.807292  0.693261  1
