# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.30210042
_cell_length_b   11.64661989
_cell_length_c   49.12938803
_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   4178.19838964
_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  0.756714  0.198992  0.358721  1
  Al  Al2  1  0.756714  0.548648  0.306173  1
  Al  Al3  1  0.563769  0.322633  0.311800  1
  Al  Al4  1  0.562621  0.966750  0.370624  1
  Al  Al5  1  0.949660  0.322633  0.311800  1
  Al  Al6  1  0.950808  0.966750  0.370624  1
  Al  Al7  1  0.453602  0.102065  0.328554  1
  Al  Al8  1  0.450881  0.750240  0.383805  1
  Al  Al9  1  0.558953  0.076386  0.275205  1
  Al  Al10  1  0.559113  0.732224  0.330874  1
  Al  Al11  1  0.059716  0.848658  0.285124  1
  Al  Al12  1  0.060945  0.510293  0.342488  1
  Al  Al13  1  0.954476  0.076386  0.275205  1
  Al  Al14  1  0.954316  0.732224  0.330874  1
  Al  Al15  1  0.453713  0.848658  0.285124  1
  Al  Al16  1  0.452484  0.510293  0.342488  1
  Al  Al17  1  0.059827  0.102065  0.328554  1
  Al  Al18  1  0.062547  0.750240  0.383805  1
  Al  Al19  1  0.756714  0.940263  0.319407  1
  Al  Al20  1  0.756714  0.592008  0.375073  1
  Al  Al21  1  0.256714  0.288970  0.352407  1
  Al  Al22  1  0.256714  0.627466  0.300103  1
  Al  Al23  1  0.256714  0.223925  0.287166  1
  Al  Al24  1  0.256714  0.885520  0.336624  1
  Al  Al25  1  0.756714  0.500554  0.470702  1
  Al  Al26  1  0.756714  0.848345  0.415161  1
  Al  Al27  1  0.562247  0.620629  0.426961  1
  Al  Al28  1  0.561692  0.273891  0.482357  1
  Al  Al29  1  0.951182  0.620629  0.426961  1
  Al  Al30  1  0.951737  0.273891  0.482357  1
  Al  Al31  1  0.450566  0.402640  0.438725  1
  Al  Al32  1  0.451250  0.055538  0.494329  1
  Al  Al33  1  0.563011  0.382002  0.385428  1
  Al  Al34  1  0.561890  0.035868  0.440637  1
  Al  Al35  1  0.061880  0.163769  0.396455  1
  Al  Al36  1  0.061255  0.817343  0.453191  1
  Al  Al37  1  0.950418  0.382002  0.385428  1
  Al  Al38  1  0.951539  0.035868  0.440637  1
  Al  Al39  1  0.451549  0.163769  0.396455  1
  Al  Al40  1  0.452174  0.817343  0.453191  1
  Al  Al41  1  0.062862  0.402640  0.438725  1
  Al  Al42  1  0.062179  0.055538  0.494329  1
  Al  Al43  1  0.756714  0.246431  0.431084  1
  Al  Al44  1  0.756714  0.899671  0.486961  1
  Al  Al45  1  0.256714  0.589541  0.465192  1
  Al  Al46  1  0.256714  0.937270  0.409230  1
  Al  Al47  1  0.256714  0.538369  0.393135  1
  Al  Al48  1  0.256714  0.191515  0.448045  1
  Al  Al49  1  0.756714  0.806170  0.582035  1
  Al  Al50  1  0.756714  0.153899  0.526073  1
  Al  Al51  1  0.561255  0.926097  0.538074  1
  Al  Al52  1  0.561880  0.579671  0.594810  1
  Al  Al53  1  0.952174  0.926097  0.538074  1
  Al  Al54  1  0.951549  0.579671  0.594810  1
  Al  Al55  1  0.451539  0.707572  0.550628  1
  Al  Al56  1  0.450418  0.361438  0.605837  1
  Al  Al57  1  0.562179  0.687903  0.496936  1
  Al  Al58  1  0.562862  0.340800  0.552540  1
  Al  Al59  1  0.061692  0.469549  0.508908  1
  Al  Al60  1  0.062247  0.122811  0.564304  1
  Al  Al61  1  0.951250  0.687903  0.496936  1
  Al  Al62  1  0.950566  0.340800  0.552540  1
  Al  Al63  1  0.451737  0.469549  0.508908  1
  Al  Al64  1  0.451182  0.122811  0.564304  1
  Al  Al65  1  0.061890  0.707572  0.550628  1
  Al  Al66  1  0.063011  0.361438  0.605837  1
  Al  Al67  1  0.756714  0.551926  0.543220  1
  Al  Al68  1  0.756714  0.205071  0.598130  1
  Al  Al69  1  0.256714  0.895095  0.576104  1
  Al  Al70  1  0.256714  0.242886  0.520563  1
  Al  Al71  1  0.256714  0.843769  0.504304  1
  Al  Al72  1  0.256714  0.497009  0.560181  1
  Al  Al73  1  0.756714  0.115974  0.691162  1
  Al  Al74  1  0.756714  0.454470  0.638858  1
  Al  Al75  1  0.560945  0.233147  0.648777  1
  Al  Al76  1  0.559716  0.894782  0.706141  1
  Al  Al77  1  0.952484  0.233147  0.648777  1
  Al  Al78  1  0.953713  0.894782  0.706141  1
  Al  Al79  1  0.454316  0.011216  0.660391  1
  Al  Al80  1  0.454476  0.667054  0.716060  1
  Al  Al81  1  0.562547  0.993200  0.607460  1
  Al  Al82  1  0.559827  0.641375  0.662711  1
  Al  Al83  1  0.062621  0.776690  0.620642  1
  Al  Al84  1  0.063769  0.420807  0.679465  1
  Al  Al85  1  0.950881  0.993200  0.607460  1
  Al  Al86  1  0.953602  0.641375  0.662711  1
  Al  Al87  1  0.450808  0.776690  0.620642  1
  Al  Al88  1  0.449660  0.420807  0.679465  1
  Al  Al89  1  0.059113  0.011216  0.660391  1
  Al  Al90  1  0.058953  0.667054  0.716060  1
  Al  Al91  1  0.756714  0.857920  0.654642  1
  Al  Al92  1  0.756714  0.519515  0.704099  1
  Al  Al93  1  0.256714  0.194792  0.685092  1
  Al  Al94  1  0.256714  0.544448  0.632544  1
  Al  Al95  1  0.256714  0.151433  0.616192  1
  Al  Al96  1  0.256714  0.803177  0.671858  1
  Ni  Ni97  1  0.756714  0.414497  0.345767  1
  Ni  Ni98  1  0.756714  0.757902  0.292111  1
  Ni  Ni99  1  0.756714  0.150552  0.310660  1
  Ni  Ni100  1  0.756714  0.801665  0.366022  1
  Ni  Ni101  1  0.256714  0.055911  0.366260  1
  Ni  Ni102  1  0.256714  0.414094  0.309872  1
  Ni  Ni103  1  0.256714  0.013223  0.294928  1
  Ni  Ni104  1  0.256714  0.675490  0.348407  1
  Ni  Ni105  1  0.756714  0.725923  0.457918  1
  Ni  Ni106  1  0.756714  0.073569  0.401488  1
  Ni  Ni107  1  0.756714  0.455478  0.421219  1
  Ni  Ni108  1  0.756714  0.108580  0.476549  1
  Ni  Ni109  1  0.256714  0.364421  0.477812  1
  Ni  Ni110  1  0.256714  0.710813  0.422635  1
  Ni  Ni111  1  0.256714  0.328997  0.402571  1
  Ni  Ni112  1  0.256714  0.982543  0.458547  1
  Ni  Ni113  1  0.756714  0.032627  0.568630  1
  Ni  Ni114  1  0.756714  0.379019  0.513453  1
  Ni  Ni115  1  0.756714  0.760897  0.532718  1
  Ni  Ni116  1  0.756714  0.414443  0.588694  1
  Ni  Ni117  1  0.256714  0.669871  0.589777  1
  Ni  Ni118  1  0.256714  0.017517  0.533347  1
  Ni  Ni119  1  0.256714  0.634861  0.514716  1
  Ni  Ni120  1  0.256714  0.287963  0.570046  1
  Ni  Ni121  1  0.756714  0.329346  0.681393  1
  Ni  Ni122  1  0.756714  0.687529  0.625005  1
  Ni  Ni123  1  0.756714  0.067950  0.642858  1
  Ni  Ni124  1  0.756714  0.730217  0.696337  1
  Ni  Ni125  1  0.256714  0.985538  0.699154  1
  Ni  Ni126  1  0.256714  0.328944  0.645498  1
  Ni  Ni127  1  0.256714  0.941775  0.625243  1
  Ni  Ni128  1  0.256714  0.592888  0.680605  1
