# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.00323867
_cell_length_b   16.68941241
_cell_length_c   48.62976237
_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   'Al108 Ni36'
_cell_volume   4872.24146706
_cell_formula_units_Z   36
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  0.984185  0.120700  0.381441  1
  Al  Al2  1  0.074349  0.632880  0.288506  1
  Al  Al3  1  0.994548  0.375209  0.336255  1
  Al  Al4  1  0.246841  0.890549  0.294807  1
  Al  Al5  1  0.263720  0.583576  0.339907  1
  Al  Al6  1  0.172919  0.308696  0.385572  1
  Al  Al7  1  0.216037  0.955945  0.374307  1
  Al  Al8  1  0.215106  0.700259  0.421153  1
  Al  Al9  1  0.171026  0.231916  0.318858  1
  Al  Al10  1  0.323576  0.200259  0.421153  1
  Al  Al11  1  0.367656  0.731916  0.318858  1
  Al  Al12  1  0.322645  0.455945  0.374307  1
  Al  Al13  1  0.756771  0.912155  0.282456  1
  Al  Al14  1  0.717505  0.618769  0.325736  1
  Al  Al15  1  0.689104  0.364073  0.376813  1
  Al  Al16  1  0.821177  0.118769  0.325736  1
  Al  Al17  1  0.849578  0.864073  0.376813  1
  Al  Al18  1  0.781911  0.412155  0.282456  1
  Al  Al19  1  0.649224  0.015618  0.365388  1
  Al  Al20  1  0.720514  0.749077  0.410613  1
  Al  Al21  1  0.665139  0.273747  0.313442  1
  Al  Al22  1  0.818168  0.249077  0.410613  1
  Al  Al23  1  0.873543  0.773747  0.313442  1
  Al  Al24  1  0.889458  0.515618  0.365388  1
  Al  Al25  1  0.274962  0.083576  0.339907  1
  Al  Al26  1  0.365763  0.808696  0.385572  1
  Al  Al27  1  0.291841  0.390549  0.294807  1
  Al  Al28  1  0.504526  0.200961  0.365603  1
  Al  Al29  1  0.528100  0.940565  0.415737  1
  Al  Al30  1  0.599306  0.458326  0.330289  1
  Al  Al31  1  0.939376  0.958326  0.330289  1
  Al  Al32  1  0.034156  0.700961  0.365603  1
  Al  Al33  1  1.010582  0.440565  0.415737  1
  Al  Al34  1  0.544134  0.875209  0.336255  1
  Al  Al35  1  0.554497  0.620700  0.381441  1
  Al  Al36  1  0.464333  0.132880  0.288506  1
  Al  Al37  1  0.039511  0.341919  0.525243  1
  Al  Al38  1  0.045663  0.863617  0.429120  1
  Al  Al39  1  0.025594  0.601559  0.478030  1
  Al  Al40  1  0.196276  0.051132  0.434629  1
  Al  Al41  1  0.204856  0.790161  0.481583  1
  Al  Al42  1  0.204144  0.528732  0.530037  1
  Al  Al43  1  0.212445  0.176205  0.516457  1
  Al  Al44  1  0.178696  0.917857  0.565097  1
  Al  Al45  1  0.194304  0.436707  0.468791  1
  Al  Al46  1  0.359986  0.417857  0.565097  1
  Al  Al47  1  0.344378  0.936707  0.468791  1
  Al  Al48  1  0.326237  0.676205  0.516457  1
  Al  Al49  1  0.678696  0.102194  0.423653  1
  Al  Al50  1  0.712445  0.843846  0.472292  1
  Al  Al51  1  0.694304  0.583343  0.519959  1
  Al  Al52  1  0.826237  0.343846  0.472292  1
  Al  Al53  1  0.844378  0.083343  0.519959  1
  Al  Al54  1  0.859986  0.602194  0.423653  1
  Al  Al55  1  0.704856  0.229889  0.507167  1
  Al  Al56  1  0.696276  0.968918  0.554120  1
  Al  Al57  1  0.704144  0.491319  0.458713  1
  Al  Al58  1  0.842406  0.468918  0.554120  1
  Al  Al59  1  0.834538  0.991319  0.458713  1
  Al  Al60  1  0.833826  0.729889  0.507167  1
  Al  Al61  1  0.333826  0.290161  0.481583  1
  Al  Al62  1  0.334538  0.028732  0.530037  1
  Al  Al63  1  0.342406  0.551132  0.434629  1
  Al  Al64  1  0.525594  0.418492  0.510720  1
  Al  Al65  1  0.545663  0.156434  0.559630  1
  Al  Al66  1  0.539511  0.678132  0.463507  1
  Al  Al67  1  0.999171  0.178132  0.463507  1
  Al  Al68  1  1.013088  0.918492  0.510720  1
  Al  Al69  1  0.993019  0.656434  0.559630  1
  Al  Al70  1  0.513088  0.101559  0.478030  1
  Al  Al71  1  0.499171  0.841919  0.525243  1
  Al  Al72  1  0.493019  0.363617  0.429120  1
  Al  Al73  1  0.099306  0.561725  0.658461  1
  Al  Al74  1  0.028100  0.079485  0.573013  1
  Al  Al75  1  1.004526  0.819089  0.623147  1
  Al  Al76  1  0.220514  0.270973  0.578137  1
  Al  Al77  1  0.149224  0.004432  0.623362  1
  Al  Al78  1  0.165139  0.746304  0.675308  1
  Al  Al79  1  0.217505  0.401281  0.663013  1
  Al  Al80  1  0.256771  0.107895  0.706294  1
  Al  Al81  1  0.189104  0.655977  0.611937  1
  Al  Al82  1  0.281911  0.607895  0.706294  1
  Al  Al83  1  0.349578  0.155977  0.611937  1
  Al  Al84  1  0.321177  0.901281  0.663013  1
  Al  Al85  1  0.715106  0.319791  0.567597  1
  Al  Al86  1  0.716037  0.064105  0.614443  1
  Al  Al87  1  0.671026  0.788134  0.669892  1
  Al  Al88  1  0.822645  0.564105  0.614443  1
  Al  Al89  1  0.867656  0.288134  0.669892  1
  Al  Al90  1  0.823576  0.819791  0.567597  1
  Al  Al91  1  0.763720  0.436475  0.648842  1
  Al  Al92  1  0.746841  0.129501  0.693943  1
  Al  Al93  1  0.672919  0.711355  0.603178  1
  Al  Al94  1  0.791841  0.629501  0.693943  1
  Al  Al95  1  0.865763  0.211355  0.603178  1
  Al  Al96  1  0.774962  0.936475  0.648842  1
  Al  Al97  1  0.389458  0.504432  0.623362  1
  Al  Al98  1  0.373543  0.246304  0.675308  1
  Al  Al99  1  0.318168  0.770973  0.578137  1
  Al  Al100  1  0.494548  0.644842  0.652495  1
  Al  Al101  1  0.574349  0.387171  0.700244  1
  Al  Al102  1  0.484185  0.899350  0.607309  1
  Al  Al103  1  0.054497  0.399350  0.607309  1
  Al  Al104  1  0.044134  0.144842  0.652495  1
  Al  Al105  1  0.964333  0.887171  0.700244  1
  Al  Al106  1  0.534156  0.319089  0.623147  1
  Al  Al107  1  0.439376  0.061725  0.658461  1
  Al  Al108  1  0.510582  0.579485  0.573013  1
  Ni  Ni109  1  0.907084  0.988964  0.405968  1
  Ni  Ni110  1  0.996456  0.504795  0.313008  1
  Ni  Ni111  1  0.884641  0.243585  0.356730  1
  Ni  Ni112  1  0.365195  0.081016  0.391212  1
  Ni  Ni113  1  0.411957  0.538796  0.295037  1
  Ni  Ni114  1  0.386337  0.335780  0.343499  1
  Ni  Ni115  1  0.126725  0.038796  0.295037  1
  Ni  Ni116  1  0.152345  0.835780  0.343499  1
  Ni  Ni117  1  0.173487  0.581016  0.391212  1
  Ni  Ni118  1  0.542226  0.004795  0.313008  1
  Ni  Ni119  1  0.654041  0.743585  0.356730  1
  Ni  Ni120  1  0.631598  0.488964  0.405968  1
  Ni  Ni121  1  0.925163  0.207775  0.549999  1
  Ni  Ni122  1  0.913976  0.728135  0.454094  1
  Ni  Ni123  1  0.904535  0.467703  0.502349  1
  Ni  Ni124  1  0.413976  0.291916  0.534656  1
  Ni  Ni125  1  0.425163  0.812276  0.438751  1
  Ni  Ni126  1  0.404535  0.552348  0.486401  1
  Ni  Ni127  1  0.113519  0.312276  0.438751  1
  Ni  Ni128  1  0.134147  0.052348  0.486401  1
  Ni  Ni129  1  0.124706  0.791916  0.534656  1
  Ni  Ni130  1  0.624706  0.228135  0.454094  1
  Ni  Ni131  1  0.634147  0.967703  0.502349  1
  Ni  Ni132  1  0.613519  0.707775  0.549999  1
  Ni  Ni133  1  0.911957  0.481255  0.693713  1
  Ni  Ni134  1  0.865195  0.939034  0.597538  1
  Ni  Ni135  1  0.886337  0.684270  0.645251  1
  Ni  Ni136  1  0.496456  0.515256  0.675742  1
  Ni  Ni137  1  0.407084  0.031086  0.582782  1
  Ni  Ni138  1  0.384641  0.776465  0.632020  1
  Ni  Ni139  1  0.131598  0.531086  0.582782  1
  Ni  Ni140  1  0.154041  0.276465  0.632020  1
  Ni  Ni141  1  0.042226  0.015256  0.675742  1
  Ni  Ni142  1  0.673487  0.439034  0.597538  1
  Ni  Ni143  1  0.652345  0.184270  0.645251  1
  Ni  Ni144  1  0.626725  0.981255  0.693713  1
