# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38408210
_cell_length_b   8.61617791
_cell_length_c   53.51100324
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al36 Ni60'
_cell_volume   2482.38664067
_cell_formula_units_Z   12
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  1.082766  0.511445  0.272354  1
  Al  Al2  1  1.082766  0.810082  0.289434  1
  Al  Al3  1  1.082766  0.209615  0.252153  1
  Al  Al4  1  0.582766  0.929307  0.234472  1
  Al  Al5  1  0.582766  0.227389  0.253404  1
  Al  Al6  1  0.582766  0.788788  0.289270  1
  Al  Al7  1  1.082766  0.673766  0.343627  1
  Al  Al8  1  1.082766  0.973315  0.360972  1
  Al  Al9  1  1.082766  0.369670  0.325087  1
  Al  Al10  1  0.582766  0.091700  0.307231  1
  Al  Al11  1  0.582766  0.391032  0.324631  1
  Al  Al12  1  0.582766  0.951727  0.361310  1
  Al  Al13  1  1.082766  0.835025  0.415267  1
  Al  Al14  1  1.082766  0.134855  0.432821  1
  Al  Al15  1  1.082766  0.532120  0.396887  1
  Al  Al16  1  0.582766  0.253578  0.379011  1
  Al  Al17  1  0.582766  0.553520  0.396610  1
  Al  Al18  1  0.582766  0.113418  0.433045  1
  Al  Al19  1  1.082766  -0.003179  0.487121  1
  Al  Al20  1  1.082766  0.296209  0.504598  1
  Al  Al21  1  1.082766  0.693705  0.468664  1
  Al  Al22  1  0.582766  0.415057  0.450789  1
  Al  Al23  1  0.582766  0.715004  0.468400  1
  Al  Al24  1  0.582766  0.274814  0.504786  1
  Al  Al25  1  1.082766  0.159735  0.559080  1
  Al  Al26  1  1.082766  0.458964  0.576154  1
  Al  Al27  1  1.082766  0.854938  0.540204  1
  Al  Al28  1  0.582766  0.576799  0.522605  1
  Al  Al29  1  0.582766  0.876236  0.539919  1
  Al  Al30  1  0.582766  0.436757  0.576405  1
  Al  Al31  1  1.082766  0.325350  0.632394  1
  Al  Al32  1  1.082766  0.624328  0.647872  1
  Al  Al33  1  1.082766  0.018480  0.610743  1
  Al  Al34  1  0.582766  0.740161  0.594441  1
  Al  Al35  1  0.582766  0.040556  0.610567  1
  Al  Al36  1  0.582766  0.594327  0.648145  1
  Ni  Ni37  1  0.582766  0.512546  0.272758  1
  Ni  Ni38  1  0.330741  0.299307  0.288844  1
  Ni  Ni39  1  0.329275  0.719470  0.252783  1
  Ni  Ni40  1  0.330788  0.439524  0.235982  1
  Ni  Ni41  1  0.834744  0.439524  0.235982  1
  Ni  Ni42  1  1.082766  0.939944  0.235032  1
  Ni  Ni43  1  0.836258  0.719470  0.252783  1
  Ni  Ni44  1  0.834791  0.299307  0.288844  1
  Ni  Ni45  1  0.825171  0.008744  0.271781  1
  Ni  Ni46  1  0.340361  0.008744  0.271781  1
  Ni  Ni47  1  0.582766  0.673451  0.343714  1
  Ni  Ni48  1  0.332741  0.462415  0.360716  1
  Ni  Ni49  1  0.333767  0.881793  0.325163  1
  Ni  Ni50  1  0.324193  0.591607  0.308140  1
  Ni  Ni51  1  0.841340  0.591607  0.308140  1
  Ni  Ni52  1  1.082766  0.090899  0.307414  1
  Ni  Ni53  1  0.831765  0.881793  0.325163  1
  Ni  Ni54  1  0.832791  0.462415  0.360716  1
  Ni  Ni55  1  0.824122  0.171861  0.343199  1
  Ni  Ni56  1  0.341410  0.171861  0.343199  1
  Ni  Ni57  1  0.582766  0.835045  0.415285  1
  Ni  Ni58  1  0.332674  0.624195  0.432588  1
  Ni  Ni59  1  0.332716  0.043931  0.396978  1
  Ni  Ni60  1  0.324348  0.753587  0.379503  1
  Ni  Ni61  1  0.841184  0.753587  0.379503  1
  Ni  Ni62  1  1.082766  0.253478  0.378983  1
  Ni  Ni63  1  0.832816  0.043931  0.396978  1
  Ni  Ni64  1  0.832859  0.624195  0.432588  1
  Ni  Ni65  1  0.824591  0.333680  0.414947  1
  Ni  Ni66  1  0.340942  0.333680  0.414947  1
  Ni  Ni67  1  0.582766  -0.003281  0.487174  1
  Ni  Ni68  1  0.332529  0.785548  0.504256  1
  Ni  Ni69  1  0.332857  0.205380  0.468751  1
  Ni  Ni70  1  0.324569  0.915116  0.451257  1
  Ni  Ni71  1  0.840963  0.915116  0.451257  1
  Ni  Ni72  1  1.082766  0.414963  0.450791  1
  Ni  Ni73  1  0.832675  0.205380  0.468751  1
  Ni  Ni74  1  0.833004  0.785548  0.504256  1
  Ni  Ni75  1  0.824647  0.495151  0.486760  1
  Ni  Ni76  1  0.340885  0.495151  0.486760  1
  Ni  Ni77  1  0.582766  0.159524  0.559348  1
  Ni  Ni78  1  0.332374  0.947005  0.575496  1
  Ni  Ni79  1  0.333156  0.367022  0.540450  1
  Ni  Ni80  1  0.324745  0.077033  0.523260  1
  Ni  Ni81  1  0.840788  0.077033  0.523260  1
  Ni  Ni82  1  1.082766  0.576604  0.522648  1
  Ni  Ni83  1  0.832377  0.367022  0.540450  1
  Ni  Ni84  1  0.833158  0.947005  0.575496  1
  Ni  Ni85  1  0.824582  0.657402  0.558639  1
  Ni  Ni86  1  0.340951  0.657402  0.558639  1
  Ni  Ni87  1  0.582766  0.318344  0.631537  1
  Ni  Ni88  1  0.330196  0.099826  0.647533  1
  Ni  Ni89  1  0.333523  0.529444  0.611690  1
  Ni  Ni90  1  0.322278  0.242107  0.595342  1
  Ni  Ni91  1  0.843254  0.242107  0.595342  1
  Ni  Ni92  1  1.082766  0.739570  0.594701  1
  Ni  Ni93  1  0.832009  0.529444  0.611690  1
  Ni  Ni94  1  0.835337  0.099826  0.647533  1
  Ni  Ni95  1  0.822127  0.823777  0.630655  1
  Ni  Ni96  1  0.343405  0.823777  0.630655  1
