# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47571524
_cell_length_b   16.38331016
_cell_length_c   52.86086858
_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   'Al144 Ni48'
_cell_volume   5608.20255725
_cell_formula_units_Z   48
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  0.027176  0.085261  0.339008  1
  Al  Al2  1  0.034031  0.614633  0.260710  1
  Al  Al3  1  0.039512  0.355121  0.298198  1
  Al  Al4  1  0.175628  0.791968  0.258837  1
  Al  Al5  1  0.180784  0.527958  0.301839  1
  Al  Al6  1  0.180352  0.262826  0.341312  1
  Al  Al7  1  0.174327  0.917271  0.335051  1
  Al  Al8  1  0.171500  0.449481  0.253568  1
  Al  Al9  1  0.172481  0.184194  0.293267  1
  Al  Al10  1  0.329871  0.949481  0.253568  1
  Al  Al11  1  0.328889  0.684194  0.293267  1
  Al  Al12  1  0.327044  0.417271  0.335051  1
  Al  Al13  1  0.680405  0.062976  0.373384  1
  Al  Al14  1  0.684870  0.597269  0.290807  1
  Al  Al15  1  0.682951  0.329612  0.331240  1
  Al  Al16  1  0.816500  0.097269  0.290807  1
  Al  Al17  1  0.818419  0.829612  0.331240  1
  Al  Al18  1  0.820965  0.562976  0.373384  1
  Al  Al19  1  0.680479  0.985193  0.325015  1
  Al  Al20  1  0.679092  0.718312  0.366038  1
  Al  Al21  1  0.704650  0.259684  0.281285  1
  Al  Al22  1  0.822279  0.218312  0.366038  1
  Al  Al23  1  0.796721  0.759684  0.281285  1
  Al  Al24  1  0.820892  0.485193  0.325015  1
  Al  Al25  1  0.320586  0.027958  0.301839  1
  Al  Al26  1  0.321019  0.762826  0.341312  1
  Al  Al27  1  0.325743  0.291968  0.258837  1
  Al  Al28  1  0.524280  0.162901  0.325989  1
  Al  Al29  1  0.523839  0.896251  0.368561  1
  Al  Al30  1  0.528597  0.428392  0.286317  1
  Al  Al31  1  0.972774  0.928392  0.286317  1
  Al  Al32  1  0.977091  0.662901  0.325989  1
  Al  Al33  1  0.977532  0.396251  0.368561  1
  Al  Al34  1  0.461858  0.855121  0.298198  1
  Al  Al35  1  0.474195  0.585261  0.339008  1
  Al  Al36  1  0.467340  0.114633  0.260710  1
  Al  Al37  1  0.025920  0.286641  0.464717  1
  Al  Al38  1  0.024894  0.818560  0.380902  1
  Al  Al39  1  0.026555  0.552963  0.422824  1
  Al  Al40  1  0.177101  0.997407  0.383689  1
  Al  Al41  1  0.179416  0.731060  0.425320  1
  Al  Al42  1  0.179910  0.465006  0.467210  1
  Al  Al43  1  0.178207  0.120507  0.460074  1
  Al  Al44  1  0.177946  0.652804  0.376237  1
  Al  Al45  1  0.179583  0.386587  0.418211  1
  Al  Al46  1  0.323425  0.152804  0.376237  1
  Al  Al47  1  0.321787  0.886587  0.418211  1
  Al  Al48  1  0.323164  0.620507  0.460074  1
  Al  Al49  1  0.678771  0.264206  0.498810  1
  Al  Al50  1  0.677529  0.796297  0.415097  1
  Al  Al51  1  0.679649  0.530297  0.456984  1
  Al  Al52  1  0.823841  0.296297  0.415097  1
  Al  Al53  1  0.821722  0.030297  0.456984  1
  Al  Al54  1  0.822600  0.764206  0.498810  1
  Al  Al55  1  0.679441  0.185882  0.449820  1
  Al  Al56  1  0.678895  0.919659  0.491712  1
  Al  Al57  1  0.680773  0.451728  0.408113  1
  Al  Al58  1  0.822476  0.419659  0.491712  1
  Al  Al59  1  0.820598  0.951728  0.408113  1
  Al  Al60  1  0.821930  0.685882  0.449820  1
  Al  Al61  1  0.321954  0.231060  0.425320  1
  Al  Al62  1  0.321461  0.965006  0.467210  1
  Al  Al63  1  0.324270  0.497407  0.383689  1
  Al  Al64  1  0.526358  0.363992  0.452381  1
  Al  Al65  1  0.525246  0.098026  0.494192  1
  Al  Al66  1  0.525422  0.630402  0.410494  1
  Al  Al67  1  0.975948  0.130402  0.410494  1
  Al  Al68  1  0.975013  0.863992  0.452381  1
  Al  Al69  1  0.976125  0.598026  0.494192  1
  Al  Al70  1  0.474816  0.052963  0.422824  1
  Al  Al71  1  0.475451  0.786641  0.464717  1
  Al  Al72  1  0.476477  0.318560  0.380902  1
  Al  Al73  1  0.025422  0.488106  0.590246  1
  Al  Al74  1  0.025246  0.020482  0.506547  1
  Al  Al75  1  0.026358  0.754516  0.548358  1
  Al  Al76  1  0.178895  0.198849  0.509028  1
  Al  Al77  1  0.179441  0.932626  0.550919  1
  Al  Al78  1  0.180773  0.666780  0.592626  1
  Al  Al79  1  0.177529  0.322211  0.585642  1
  Al  Al80  1  0.178771  0.854302  0.501929  1
  Al  Al81  1  0.179649  0.588211  0.543755  1
  Al  Al82  1  0.322600  0.354302  0.501929  1
  Al  Al83  1  0.321722  0.088211  0.543755  1
  Al  Al84  1  0.323841  0.822211  0.585642  1
  Al  Al85  1  0.677946  0.465704  0.624502  1
  Al  Al86  1  0.678207  0.998001  0.540666  1
  Al  Al87  1  0.679583  0.731921  0.582528  1
  Al  Al88  1  0.823164  0.498001  0.540666  1
  Al  Al89  1  0.821787  0.231921  0.582528  1
  Al  Al90  1  0.823425  0.965704  0.624502  1
  Al  Al91  1  0.679416  0.387448  0.575419  1
  Al  Al92  1  0.677101  0.121101  0.617050  1
  Al  Al93  1  0.679910  0.653502  0.533529  1
  Al  Al94  1  0.824270  0.621101  0.617050  1
  Al  Al95  1  0.821461  0.153502  0.533529  1
  Al  Al96  1  0.821954  0.887448  0.575419  1
  Al  Al97  1  0.321930  0.432626  0.550919  1
  Al  Al98  1  0.320598  0.166780  0.592626  1
  Al  Al99  1  0.322476  0.698849  0.509028  1
  Al  Al100  1  0.526555  0.565545  0.577915  1
  Al  Al101  1  0.524894  0.299948  0.619837  1
  Al  Al102  1  0.525920  0.831867  0.536023  1
  Al  Al103  1  0.975451  0.331867  0.536023  1
  Al  Al104  1  0.974816  0.065545  0.577915  1
  Al  Al105  1  0.976477  0.799948  0.619837  1
  Al  Al106  1  0.475013  0.254516  0.548358  1
  Al  Al107  1  0.475948  0.988106  0.590246  1
  Al  Al108  1  0.476125  0.520482  0.506547  1
  Al  Al109  1  0.028597  0.690116  0.714422  1
  Al  Al110  1  0.023839  0.222257  0.632178  1
  Al  Al111  1  0.024280  0.955607  0.674750  1
  Al  Al112  1  0.179092  0.400197  0.634702  1
  Al  Al113  1  0.180479  0.133315  0.675724  1
  Al  Al114  1  0.204650  0.858824  0.719455  1
  Al  Al115  1  0.184870  0.521239  0.709932  1
  Al  Al116  1  0.180405  0.055532  0.627356  1
  Al  Al117  1  0.182951  0.788896  0.669500  1
  Al  Al118  1  0.320965  0.555532  0.627356  1
  Al  Al119  1  0.318419  0.288896  0.669500  1
  Al  Al120  1  0.316500  0.021239  0.709932  1
  Al  Al121  1  0.671500  0.669027  0.747171  1
  Al  Al122  1  0.674327  0.201237  0.665688  1
  Al  Al123  1  0.672481  0.934314  0.707472  1
  Al  Al124  1  0.827044  0.701237  0.665688  1
  Al  Al125  1  0.828889  0.434314  0.707472  1
  Al  Al126  1  0.829871  0.169027  0.747171  1
  Al  Al127  1  0.680784  0.590550  0.698901  1
  Al  Al128  1  0.675628  0.326540  0.741902  1
  Al  Al129  1  0.680352  0.855682  0.659427  1
  Al  Al130  1  0.825743  0.826540  0.741902  1
  Al  Al131  1  0.821019  0.355682  0.659427  1
  Al  Al132  1  0.820586  0.090550  0.698901  1
  Al  Al133  1  0.320892  0.633315  0.675724  1
  Al  Al134  1  0.296721  0.358824  0.719455  1
  Al  Al135  1  0.322279  0.900197  0.634702  1
  Al  Al136  1  0.539512  0.763387  0.702541  1
  Al  Al137  1  0.534031  0.503875  0.740030  1
  Al  Al138  1  0.527176  0.033247  0.661732  1
  Al  Al139  1  0.974195  0.533247  0.661732  1
  Al  Al140  1  0.961858  0.263387  0.702541  1
  Al  Al141  1  0.967340  0.003875  0.740030  1
  Al  Al142  1  0.477091  0.455607  0.674750  1
  Al  Al143  1  0.472774  0.190116  0.714422  1
  Al  Al144  1  0.477532  0.722257  0.632178  1
  Ni  Ni145  1  0.879632  0.944529  0.361433  1
  Ni  Ni146  1  0.879220  0.480264  0.278862  1
  Ni  Ni147  1  0.878925  0.212333  0.319406  1
  Ni  Ni148  1  0.381460  0.035430  0.347402  1
  Ni  Ni149  1  0.392590  0.559875  0.266475  1
  Ni  Ni150  1  0.391783  0.298468  0.304552  1
  Ni  Ni151  1  0.108781  0.059875  0.266475  1
  Ni  Ni152  1  0.109588  0.798468  0.304552  1
  Ni  Ni153  1  0.119911  0.535430  0.347402  1
  Ni  Ni154  1  0.622151  0.980264  0.278862  1
  Ni  Ni155  1  0.622446  0.712333  0.319406  1
  Ni  Ni156  1  0.621739  0.444529  0.361433  1
  Ni  Ni157  1  0.880796  0.146492  0.486661  1
  Ni  Ni158  1  0.881047  0.679053  0.402924  1
  Ni  Ni159  1  0.882175  0.412580  0.444848  1
  Ni  Ni160  1  0.381311  0.237983  0.472236  1
  Ni  Ni161  1  0.380378  0.770306  0.388370  1
  Ni  Ni162  1  0.382198  0.504145  0.430463  1
  Ni  Ni163  1  0.120993  0.270306  0.388370  1
  Ni  Ni164  1  0.119173  0.004145  0.430463  1
  Ni  Ni165  1  0.120060  0.737983  0.472236  1
  Ni  Ni166  1  0.620324  0.179053  0.402924  1
  Ni  Ni167  1  0.619196  0.912580  0.444848  1
  Ni  Ni168  1  0.620575  0.646492  0.486661  1
  Ni  Ni169  1  0.880378  0.348202  0.612369  1
  Ni  Ni170  1  0.881311  0.880525  0.528504  1
  Ni  Ni171  1  0.882198  0.614363  0.570276  1
  Ni  Ni172  1  0.381047  0.439455  0.597815  1
  Ni  Ni173  1  0.380796  0.972016  0.514079  1
  Ni  Ni174  1  0.382175  0.705928  0.555892  1
  Ni  Ni175  1  0.120575  0.472016  0.514079  1
  Ni  Ni176  1  0.119196  0.205928  0.555892  1
  Ni  Ni177  1  0.120324  0.939455  0.597815  1
  Ni  Ni178  1  0.620060  0.380525  0.528504  1
  Ni  Ni179  1  0.619173  0.114363  0.570276  1
  Ni  Ni180  1  0.620993  0.848202  0.612369  1
  Ni  Ni181  1  0.892590  0.558633  0.734264  1
  Ni  Ni182  1  0.881460  0.083078  0.653337  1
  Ni  Ni183  1  0.891783  0.820040  0.696187  1
  Ni  Ni184  1  0.379220  0.638244  0.721877  1
  Ni  Ni185  1  0.379632  0.173979  0.639306  1
  Ni  Ni186  1  0.378925  0.906175  0.681334  1
  Ni  Ni187  1  0.121739  0.673979  0.639306  1
  Ni  Ni188  1  0.122446  0.406175  0.681334  1
  Ni  Ni189  1  0.122151  0.138244  0.721877  1
  Ni  Ni190  1  0.619911  0.583078  0.653337  1
  Ni  Ni191  1  0.609588  0.320040  0.696187  1
  Ni  Ni192  1  0.608781  0.058633  0.734264  1
