# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77676214
_cell_length_b   15.10903170
_cell_length_c   52.34206230
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al96 Ni32'
_cell_volume   3777.64443849
_cell_formula_units_Z   32
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  0.604893  0.706995  0.342306  1
  Al  Al2  1  0.580045  0.088726  0.284274  1
  Al  Al3  1  0.127211  0.721556  0.310206  1
  Al  Al4  1  0.124932  0.345819  0.370852  1
  Al  Al5  1  0.122635  0.818104  0.359110  1
  Al  Al6  1  0.093225  0.197877  0.293203  1
  Al  Al7  1  0.635893  0.760781  0.287260  1
  Al  Al8  1  0.625399  0.374383  0.348337  1
  Al  Al9  1  0.385124  0.913625  0.280663  1
  Al  Al10  1  0.388431  0.531877  0.338239  1
  Al  Al11  1  0.881166  0.089056  0.331329  1
  Al  Al12  1  0.900262  0.481430  0.267152  1
  Al  Al13  1  0.379361  0.006504  0.328108  1
  Al  Al14  1  0.378698  0.377115  0.265561  1
  Al  Al15  1  0.871154  0.927777  0.260572  1
  Al  Al16  1  0.889444  0.560405  0.317247  1
  Al  Al17  1  0.623022  0.898273  0.363210  1
  Al  Al18  1  0.565791  0.269515  0.304093  1
  Al  Al19  1  0.907276  0.899365  0.313534  1
  Al  Al20  1  0.908770  0.520999  0.374630  1
  Al  Al21  1  0.405276  0.193125  0.346242  1
  Al  Al22  1  0.403379  0.575979  0.283608  1
  Al  Al23  1  0.150894  0.766375  0.259966  1
  Al  Al24  1  0.101596  0.387105  0.312648  1
  Al  Al25  1  0.601639  0.961020  0.469772  1
  Al  Al26  1  0.602264  0.335921  0.405925  1
  Al  Al27  1  0.122815  0.971099  0.434690  1
  Al  Al28  1  0.125910  0.596703  0.497315  1
  Al  Al29  1  0.122735  0.071921  0.484285  1
  Al  Al30  1  0.126910  0.446489  0.421006  1
  Al  Al31  1  0.622625  0.998306  0.412976  1
  Al  Al32  1  0.626174  0.625520  0.475568  1
  Al  Al33  1  0.387922  0.158608  0.402902  1
  Al  Al34  1  0.387131  0.783437  0.466043  1
  Al  Al35  1  0.886919  0.338596  0.456270  1
  Al  Al36  1  0.885559  0.711159  0.393677  1
  Al  Al37  1  0.387532  0.259560  0.452557  1
  Al  Al38  1  0.388649  0.633176  0.389797  1
  Al  Al39  1  0.887092  0.187991  0.380346  1
  Al  Al40  1  0.886874  0.811898  0.444316  1
  Al  Al41  1  0.623171  0.151720  0.488004  1
  Al  Al42  1  0.626429  0.524558  0.424655  1
  Al  Al43  1  0.909163  0.148408  0.437810  1
  Al  Al44  1  0.909698  0.773624  0.501439  1
  Al  Al45  1  0.409233  0.449330  0.471162  1
  Al  Al46  1  0.408731  0.822100  0.409240  1
  Al  Al47  1  0.101448  0.009829  0.377742  1
  Al  Al48  1  0.104173  0.635670  0.439951  1
  Al  Al49  1  0.602935  0.214042  0.594823  1
  Al  Al50  1  0.602433  0.586811  0.532900  1
  Al  Al51  1  0.124792  0.224244  0.559747  1
  Al  Al52  1  0.124574  0.848150  0.623717  1
  Al  Al53  1  0.126107  0.324983  0.610386  1
  Al  Al54  1  0.124747  0.697546  0.547793  1
  Al  Al55  1  0.624534  0.252705  0.538020  1
  Al  Al56  1  0.623744  0.877534  0.601161  1
  Al  Al57  1  0.385492  0.410622  0.528495  1
  Al  Al58  1  0.389040  0.037836  0.591086  1
  Al  Al59  1  0.884756  0.589653  0.583056  1
  Al  Al60  1  0.888931  0.964221  0.519778  1
  Al  Al61  1  0.385237  0.511584  0.579408  1
  Al  Al62  1  0.388495  0.884421  0.516059  1
  Al  Al63  1  0.885756  0.439438  0.506748  1
  Al  Al64  1  0.888850  0.065043  0.569373  1
  Al  Al65  1  0.623017  0.402965  0.614266  1
  Al  Al66  1  0.624134  0.776582  0.551506  1
  Al  Al67  1  0.907493  0.400472  0.564111  1
  Al  Al68  1  0.910218  0.026312  0.626321  1
  Al  Al69  1  0.409402  0.700221  0.598137  1
  Al  Al70  1  0.410027  0.075122  0.534291  1
  Al  Al71  1  0.101968  0.262518  0.502623  1
  Al  Al72  1  0.102503  0.887734  0.566253  1
  Al  Al73  1  0.608287  0.460163  0.720455  1
  Al  Al74  1  0.606389  0.843016  0.657821  1
  Al  Al75  1  0.122222  0.475736  0.686816  1
  Al  Al76  1  0.140512  0.108364  0.743491  1
  Al  Al77  1  0.111404  0.554711  0.736910  1
  Al  Al78  1  0.130500  0.947086  0.672734  1
  Al  Al79  1  0.623235  0.504265  0.665824  1
  Al  Al80  1  0.626542  0.122516  0.723400  1
  Al  Al81  1  0.386267  0.661759  0.655726  1
  Al  Al82  1  0.375773  0.275361  0.716803  1
  Al  Al83  1  0.918441  0.838265  0.710859  1
  Al  Al84  1  0.889030  0.218037  0.644953  1
  Al  Al85  1  0.445875  0.766626  0.699970  1
  Al  Al86  1  0.388643  0.137869  0.640853  1
  Al  Al87  1  0.886734  0.690323  0.633211  1
  Al  Al88  1  0.884455  0.314586  0.693856  1
  Al  Al89  1  0.632968  0.659027  0.738502  1
  Al  Al90  1  0.632304  0.029638  0.675955  1
  Al  Al91  1  0.910070  0.649036  0.691414  1
  Al  Al92  1  0.860772  0.269767  0.744097  1
  Al  Al93  1  0.431621  0.947416  0.719789  1
  Al  Al94  1  0.406772  0.329147  0.661756  1
  Al  Al95  1  0.102896  0.515143  0.629433  1
  Al  Al96  1  0.104389  0.136777  0.690529  1
  Ni  Ni97  1  0.073899  0.035677  0.290384  1
  Ni  Ni98  1  0.087802  0.654476  0.352570  1
  Ni  Ni99  1  0.423045  0.845062  0.322392  1
  Ni  Ni100  1  0.878910  0.325246  0.271890  1
  Ni  Ni101  1  0.909414  0.635491  0.274977  1
  Ni  Ni102  1  0.935550  0.251618  0.335972  1
  Ni  Ni103  1  0.589646  0.060953  0.369144  1
  Ni  Ni104  1  0.600361  0.434934  0.303765  1
  Ni  Ni105  1  0.087129  0.283325  0.415006  1
  Ni  Ni106  1  0.087649  0.908275  0.478626  1
  Ni  Ni107  1  0.423484  0.096027  0.446896  1
  Ni  Ni108  1  0.422942  0.470484  0.382883  1
  Ni  Ni109  1  0.924603  0.874249  0.400363  1
  Ni  Ni110  1  0.923810  0.501380  0.462514  1
  Ni  Ni111  1  0.587701  0.314927  0.493918  1
  Ni  Ni112  1  0.589732  0.687273  0.431444  1
  Ni  Ni113  1  0.087856  0.534762  0.541548  1
  Ni  Ni114  1  0.087063  0.161893  0.603700  1
  Ni  Ni115  1  0.421934  0.348869  0.572619  1
  Ni  Ni116  1  0.423965  0.721214  0.510145  1
  Ni  Ni117  1  0.924017  0.127867  0.525437  1
  Ni  Ni118  1  0.924537  0.752817  0.589057  1
  Ni  Ni119  1  0.588723  0.565658  0.621180  1
  Ni  Ni120  1  0.588182  0.940114  0.557167  1
  Ni  Ni121  1  0.076116  0.784523  0.668091  1
  Ni  Ni122  1  0.102252  0.400651  0.729085  1
  Ni  Ni123  1  0.411305  0.601208  0.700298  1
  Ni  Ni124  1  0.422019  0.975189  0.634919  1
  Ni  Ni125  1  0.923864  0.381666  0.651493  1
  Ni  Ni126  1  0.937767  0.000465  0.713679  1
  Ni  Ni127  1  0.132756  0.710896  0.732172  1
  Ni  Ni128  1  0.588620  0.191080  0.681671  1
