# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96566602
_cell_length_b   10.29898628
_cell_length_c   46.84129868
_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   'Al48 Ni80'
_cell_volume   3360.36192436
_cell_formula_units_Z   16
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  0.504705  0.936153  0.315017  1
  Al  Al2  1  0.504705  0.190937  0.314207  1
  Al  Al3  1  0.504705  0.680733  0.317285  1
  Al  Al4  1  0.004705  0.436153  0.315017  1
  Al  Al5  1  0.004705  0.690937  0.314207  1
  Al  Al6  1  0.004705  0.180733  0.317285  1
  Al  Al7  1  0.504705  0.185154  0.371922  1
  Al  Al8  1  0.504705  0.441999  0.370663  1
  Al  Al9  1  0.504705  0.927901  0.373416  1
  Al  Al10  1  0.004705  0.685154  0.371922  1
  Al  Al11  1  0.004705  0.941999  0.370663  1
  Al  Al12  1  0.004705  0.427901  0.373416  1
  Al  Al13  1  0.504705  0.434094  0.427614  1
  Al  Al14  1  0.504705  0.691142  0.425894  1
  Al  Al15  1  0.504705  0.177142  0.429217  1
  Al  Al16  1  0.004705  0.934094  0.427614  1
  Al  Al17  1  0.004705  0.191142  0.425894  1
  Al  Al18  1  0.004705  0.677142  0.429217  1
  Al  Al19  1  0.504705  0.683343  0.483188  1
  Al  Al20  1  0.504705  0.940452  0.481567  1
  Al  Al21  1  0.504705  0.426273  0.484804  1
  Al  Al22  1  0.004705  0.183343  0.483188  1
  Al  Al23  1  0.004705  0.440452  0.481567  1
  Al  Al24  1  0.004705  0.926273  0.484804  1
  Al  Al25  1  0.504705  0.932617  0.538812  1
  Al  Al26  1  0.504705  0.189683  0.537202  1
  Al  Al27  1  0.504705  0.675481  0.540403  1
  Al  Al28  1  0.004705  0.432617  0.538812  1
  Al  Al29  1  0.004705  0.689683  0.537202  1
  Al  Al30  1  0.004705  0.175481  0.540403  1
  Al  Al31  1  0.504705  0.181855  0.594309  1
  Al  Al32  1  0.504705  0.438679  0.592758  1
  Al  Al33  1  0.504705  0.924957  0.596157  1
  Al  Al34  1  0.004705  0.681855  0.594309  1
  Al  Al35  1  0.004705  0.938679  0.592758  1
  Al  Al36  1  0.004705  0.424957  0.596157  1
  Al  Al37  1  0.504705  0.429732  0.650129  1
  Al  Al38  1  0.504705  0.688234  0.648407  1
  Al  Al39  1  0.504705  0.173784  0.650481  1
  Al  Al40  1  0.004705  0.929732  0.650129  1
  Al  Al41  1  0.004705  0.188234  0.648407  1
  Al  Al42  1  0.004705  0.673784  0.650481  1
  Al  Al43  1  0.504705  0.681682  0.708547  1
  Al  Al44  1  0.504705  0.941815  0.705825  1
  Al  Al45  1  0.504705  0.415795  0.709071  1
  Al  Al46  1  0.004705  0.181682  0.708547  1
  Al  Al47  1  0.004705  0.441815  0.705825  1
  Al  Al48  1  0.004705  0.915795  0.709071  1
  Ni  Ni49  1  0.004705  0.936048  0.317156  1
  Ni  Ni50  1  0.245626  0.058679  0.290563  1
  Ni  Ni51  1  0.263783  0.558679  0.290563  1
  Ni  Ni52  1  0.753951  0.812707  0.290470  1
  Ni  Ni53  1  0.255459  0.812707  0.290470  1
  Ni  Ni54  1  0.504705  0.436048  0.317156  1
  Ni  Ni55  1  0.745626  0.558679  0.290563  1
  Ni  Ni56  1  0.763783  0.058679  0.290563  1
  Ni  Ni57  1  0.253951  0.312707  0.290470  1
  Ni  Ni58  1  0.755459  0.312707  0.290470  1
  Ni  Ni59  1  0.004705  0.184659  0.371665  1
  Ni  Ni60  1  0.254448  0.310405  0.344360  1
  Ni  Ni61  1  0.254961  0.810405  0.344360  1
  Ni  Ni62  1  0.748455  0.060267  0.344371  1
  Ni  Ni63  1  0.260954  0.060267  0.344371  1
  Ni  Ni64  1  0.504705  0.684659  0.371665  1
  Ni  Ni65  1  0.754448  0.810405  0.344360  1
  Ni  Ni66  1  0.754961  0.310405  0.344360  1
  Ni  Ni67  1  0.248455  0.560267  0.344371  1
  Ni  Ni68  1  0.760954  0.560267  0.344371  1
  Ni  Ni69  1  0.004705  0.434167  0.427560  1
  Ni  Ni70  1  0.254421  0.559656  0.399788  1
  Ni  Ni71  1  0.254989  0.059656  0.399788  1
  Ni  Ni72  1  0.749163  0.309518  0.399775  1
  Ni  Ni73  1  0.260246  0.309518  0.399775  1
  Ni  Ni74  1  0.504705  0.934167  0.427560  1
  Ni  Ni75  1  0.754421  0.059656  0.399788  1
  Ni  Ni76  1  0.754989  0.559656  0.399788  1
  Ni  Ni77  1  0.249163  0.809518  0.399775  1
  Ni  Ni78  1  0.760246  0.809518  0.399775  1
  Ni  Ni79  1  0.004705  0.683386  0.483204  1
  Ni  Ni80  1  0.254835  0.808734  0.455388  1
  Ni  Ni81  1  0.254574  0.308734  0.455388  1
  Ni  Ni82  1  0.748755  0.558766  0.455390  1
  Ni  Ni83  1  0.260655  0.558766  0.455390  1
  Ni  Ni84  1  0.504705  0.183386  0.483204  1
  Ni  Ni85  1  0.754835  0.308734  0.455388  1
  Ni  Ni86  1  0.754574  0.808734  0.455388  1
  Ni  Ni87  1  0.248755  0.058766  0.455390  1
  Ni  Ni88  1  0.760655  0.058766  0.455390  1
  Ni  Ni89  1  0.004705  0.932557  0.538782  1
  Ni  Ni90  1  0.254739  0.057973  0.510997  1
  Ni  Ni91  1  0.254670  0.557973  0.510997  1
  Ni  Ni92  1  0.748695  0.807975  0.510998  1
  Ni  Ni93  1  0.260715  0.807975  0.510998  1
  Ni  Ni94  1  0.504705  0.432557  0.538782  1
  Ni  Ni95  1  0.754739  0.557973  0.510997  1
  Ni  Ni96  1  0.754670  0.057973  0.510997  1
  Ni  Ni97  1  0.248695  0.307975  0.510998  1
  Ni  Ni98  1  0.760715  0.307975  0.510998  1
  Ni  Ni99  1  0.004705  0.181776  0.594351  1
  Ni  Ni100  1  0.254450  0.307256  0.566609  1
  Ni  Ni101  1  0.254959  0.807256  0.566609  1
  Ni  Ni102  1  0.748812  0.057134  0.566611  1
  Ni  Ni103  1  0.260597  0.057134  0.566611  1
  Ni  Ni104  1  0.504705  0.681776  0.594351  1
  Ni  Ni105  1  0.754450  0.807256  0.566609  1
  Ni  Ni106  1  0.754959  0.307256  0.566609  1
  Ni  Ni107  1  0.248812  0.557134  0.566611  1
  Ni  Ni108  1  0.760597  0.557134  0.566611  1
  Ni  Ni109  1  0.004705  0.432515  0.650447  1
  Ni  Ni110  1  0.255860  0.555978  0.622311  1
  Ni  Ni111  1  0.253550  0.055978  0.622311  1
  Ni  Ni112  1  0.749676  0.306562  0.622312  1
  Ni  Ni113  1  0.259733  0.306562  0.622312  1
  Ni  Ni114  1  0.504705  0.932515  0.650447  1
  Ni  Ni115  1  0.755860  0.055978  0.622311  1
  Ni  Ni116  1  0.753550  0.555978  0.622311  1
  Ni  Ni117  1  0.249676  0.806562  0.622312  1
  Ni  Ni118  1  0.759733  0.806562  0.622312  1
  Ni  Ni119  1  0.004705  0.677995  0.701992  1
  Ni  Ni120  1  0.258108  0.806088  0.677525  1
  Ni  Ni121  1  0.251301  0.306088  0.677525  1
  Ni  Ni122  1  0.744096  0.555835  0.677596  1
  Ni  Ni123  1  0.265314  0.555835  0.677596  1
  Ni  Ni124  1  0.504705  0.177995  0.701992  1
  Ni  Ni125  1  0.758108  0.306088  0.677525  1
  Ni  Ni126  1  0.751301  0.806088  0.677525  1
  Ni  Ni127  1  0.244096  0.055835  0.677596  1
  Ni  Ni128  1  0.765314  0.055835  0.677596  1
