# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95740019
_cell_length_b   15.97861090
_cell_length_c   49.74418583
_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   'Al72 Ni120'
_cell_volume   4735.19778374
_cell_formula_units_Z   24
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  0.049314  0.503767  0.316768  1
  Al  Al2  1  0.073992  0.970991  0.274186  1
  Al  Al3  1  0.035440  0.587381  0.266565  1
  Al  Al4  1  0.033163  0.128434  0.307511  1
  Al  Al5  1  1.032109  0.342587  0.287331  1
  Al  Al6  1  1.026680  0.873818  0.327624  1
  Al  Al7  1  0.576614  0.200472  0.258266  1
  Al  Al8  1  0.562954  0.741508  0.296545  1
  Al  Al9  1  0.534785  0.358440  0.285691  1
  Al  Al10  1  0.534041  0.897422  0.325189  1
  Al  Al11  1  0.530918  0.588952  0.269468  1
  Al  Al12  1  0.535336  0.105411  0.309641  1
  Al  Al13  1  1.001851  0.561037  0.392451  1
  Al  Al14  1  0.979654  0.029447  0.353927  1
  Al  Al15  1  1.029643  0.660513  0.344299  1
  Al  Al16  1  1.030883  0.188899  0.382818  1
  Al  Al17  1  0.034203  0.400689  0.363570  1
  Al  Al18  1  0.035379  0.928048  0.403695  1
  Al  Al19  1  0.492141  0.263953  0.334932  1
  Al  Al20  1  0.478163  0.796435  0.373731  1
  Al  Al21  1  0.530629  0.422350  0.362299  1
  Al  Al22  1  0.529798  0.954408  0.402075  1
  Al  Al23  1  0.528838  0.638273  0.343897  1
  Al  Al24  1  0.534706  0.163843  0.384591  1
  Al  Al25  1  0.067901  0.617763  0.469671  1
  Al  Al26  1  0.087962  0.086535  0.431765  1
  Al  Al27  1  1.031675  0.717709  0.420539  1
  Al  Al28  1  0.035623  0.245323  0.459919  1
  Al  Al29  1  1.031238  0.457267  0.441375  1
  Al  Al30  1  1.030149  0.984905  0.481078  1
  Al  Al31  1  0.571611  0.320516  0.412183  1
  Al  Al32  1  0.587695  0.852656  0.451018  1
  Al  Al33  1  0.533982  0.479863  0.439806  1
  Al  Al34  1  0.535463  0.010756  0.479212  1
  Al  Al35  1  0.533795  0.693568  0.422762  1
  Al  Al36  1  0.530450  0.220500  0.461653  1
  Al  Al37  1  0.996456  0.674457  0.546867  1
  Al  Al38  1  0.977244  0.143013  0.509126  1
  Al  Al39  1  0.033368  0.774848  0.498036  1
  Al  Al40  1  1.030941  0.302152  0.537242  1
  Al  Al41  1  0.035425  0.513830  0.518788  1
  Al  Al42  1  0.036099  0.041157  0.558477  1
  Al  Al43  1  0.494839  0.377028  0.489781  1
  Al  Al44  1  0.478000  0.909401  0.528470  1
  Al  Al45  1  0.531417  0.536760  0.516768  1
  Al  Al46  1  0.529259  0.067461  0.556671  1
  Al  Al47  1  0.531829  0.750223  0.499866  1
  Al  Al48  1  0.535644  0.277193  0.539071  1
  Al  Al49  1  0.067105  0.731877  0.624887  1
  Al  Al50  1  0.088784  0.198585  0.586514  1
  Al  Al51  1  1.032144  0.831797  0.575264  1
  Al  Al52  1  0.035474  0.358153  0.614897  1
  Al  Al53  1  1.027963  0.569840  0.594535  1
  Al  Al54  1  1.029982  0.096099  0.635604  1
  Al  Al55  1  0.572780  0.433483  0.567736  1
  Al  Al56  1  0.585733  0.965860  0.606910  1
  Al  Al57  1  0.535597  0.593596  0.594527  1
  Al  Al58  1  0.538448  0.122566  0.634254  1
  Al  Al59  1  0.532526  0.806651  0.576929  1
  Al  Al60  1  0.534837  0.335167  0.616916  1
  Al  Al61  1  0.993122  0.781443  0.705087  1
  Al  Al62  1  0.982358  0.253885  0.661148  1
  Al  Al63  1  1.030881  0.888992  0.650977  1
  Al  Al64  1  0.042314  0.423071  0.690355  1
  Al  Al65  1  0.038849  0.627936  0.672409  1
  Al  Al66  1  0.035040  0.155942  0.709252  1
  Al  Al67  1  0.491314  0.490564  0.644405  1
  Al  Al68  1  0.487629  0.020873  0.687041  1
  Al  Al69  1  0.524243  0.656640  0.664745  1
  Al  Al70  1  0.535926  0.189429  0.708052  1
  Al  Al71  1  0.529647  0.860862  0.653519  1
  Al  Al72  1  0.532385  0.394128  0.692618  1
  Ni  Ni73  1  0.519930  0.505843  0.315060  1
  Ni  Ni74  1  0.505863  0.974222  0.281557  1
  Ni  Ni75  1  0.287889  0.387083  0.323290  1
  Ni  Ni76  1  0.274242  0.848568  0.289588  1
  Ni  Ni77  1  0.269468  0.628441  0.304875  1
  Ni  Ni78  1  0.292272  0.097708  0.271132  1
  Ni  Ni79  1  0.277992  0.471677  0.279446  1
  Ni  Ni80  1  0.248340  0.001631  0.317293  1
  Ni  Ni81  1  0.788460  0.474857  0.281942  1
  Ni  Ni82  1  0.816117  -0.004216  0.310746  1
  Ni  Ni83  1  1.003507  0.199139  0.264969  1
  Ni  Ni84  1  1.000935  0.743177  0.301831  1
  Ni  Ni85  1  0.795234  0.617034  0.305124  1
  Ni  Ni86  1  0.782948  0.079639  0.272030  1
  Ni  Ni87  1  0.776675  0.382791  0.324164  1
  Ni  Ni88  1  0.795198  0.862859  0.286590  1
  Ni  Ni89  1  0.758871  0.235203  0.299998  1
  Ni  Ni90  1  0.831822  0.714637  0.262780  1
  Ni  Ni91  1  0.306774  0.230355  0.293621  1
  Ni  Ni92  1  0.240443  0.717549  0.267429  1
  Ni  Ni93  1  0.550485  0.558778  0.392601  1
  Ni  Ni94  1  0.556246  0.030000  0.354543  1
  Ni  Ni95  1  0.282519  0.439652  0.401950  1
  Ni  Ni96  1  0.275523  0.924855  0.363045  1
  Ni  Ni97  1  0.283973  0.667715  0.383753  1
  Ni  Ni98  1  0.274914  0.137863  0.346567  1
  Ni  Ni99  1  0.263947  0.532598  0.356724  1
  Ni  Ni100  1  0.253730  0.056440  0.388725  1
  Ni  Ni101  1  0.794892  0.529560  0.352294  1
  Ni  Ni102  1  0.812016  0.060989  0.396997  1
  Ni  Ni103  1  0.054717  0.266657  0.333442  1
  Ni  Ni104  1  0.053955  0.794297  0.373355  1
  Ni  Ni105  1  0.768314  0.686317  0.382003  1
  Ni  Ni106  1  0.780368  0.159305  0.344772  1
  Ni  Ni107  1  0.783739  0.440934  0.401416  1
  Ni  Ni108  1  0.772951  0.902076  0.365794  1
  Ni  Ni109  1  0.760203  0.292920  0.369907  1
  Ni  Ni110  1  0.750816  0.769426  0.339030  1
  Ni  Ni111  1  0.305212  0.296485  0.376594  1
  Ni  Ni112  1  0.302496  0.765258  0.331759  1
  Ni  Ni113  1  0.513607  0.615904  0.469764  1
  Ni  Ni114  1  0.509927  0.087240  0.431828  1
  Ni  Ni115  1  0.282019  0.497033  0.478912  1
  Ni  Ni116  1  0.290180  0.957937  0.442771  1
  Ni  Ni117  1  0.290252  0.744365  0.459398  1
  Ni  Ni118  1  0.286937  0.214755  0.421095  1
  Ni  Ni119  1  0.261212  0.584763  0.428475  1
  Ni  Ni120  1  0.254745  0.117860  0.474755  1
  Ni  Ni121  1  0.806114  0.588816  0.434093  1
  Ni  Ni122  1  0.811028  0.113262  0.466080  1
  Ni  Ni123  1  1.012632  0.322330  0.412158  1
  Ni  Ni124  1  1.009524  0.851558  0.450911  1
  Ni  Ni125  1  0.786798  0.724368  0.461184  1
  Ni  Ni126  1  0.791360  0.194142  0.423390  1
  Ni  Ni127  1  0.783678  0.496884  0.479358  1
  Ni  Ni128  1  0.791658  0.981174  0.440205  1
  Ni  Ni129  1  0.759311  0.352972  0.454044  1
  Ni  Ni130  1  0.755132  0.820574  0.408117  1
  Ni  Ni131  1  0.306956  0.349704  0.447581  1
  Ni  Ni132  1  0.310834  0.825737  0.416807  1
  Ni  Ni133  1  0.551540  0.673141  0.547032  1
  Ni  Ni134  1  0.555899  0.143822  0.509162  1
  Ni  Ni135  1  0.287840  0.553506  0.556469  1
  Ni  Ni136  1  0.274551  0.037768  0.517556  1
  Ni  Ni137  1  0.278112  0.781081  0.538365  1
  Ni  Ni138  1  0.274517  0.250745  0.500633  1
  Ni  Ni139  1  0.259435  0.645801  0.511470  1
  Ni  Ni140  1  0.254436  0.170055  0.543259  1
  Ni  Ni141  1  0.805312  0.641301  0.505500  1
  Ni  Ni142  1  0.811149  0.174340  0.552073  1
  Ni  Ni143  1  0.052685  0.378789  0.489603  1
  Ni  Ni144  1  0.055491  0.908545  0.528337  1
  Ni  Ni145  1  0.774868  0.801489  0.536662  1
  Ni  Ni146  1  0.778958  0.271057  0.498348  1
  Ni  Ni147  1  0.778563  0.553654  0.555636  1
  Ni  Ni148  1  0.774394  0.014565  0.520198  1
  Ni  Ni149  1  0.758214  0.406767  0.525232  1
  Ni  Ni150  1  0.754177  0.882719  0.494078  1
  Ni  Ni151  1  0.308722  0.409957  0.531784  1
  Ni  Ni152  1  0.310614  0.877522  0.485529  1
  Ni  Ni153  1  0.507236  0.730760  0.622340  1
  Ni  Ni154  1  0.509219  0.200068  0.586497  1
  Ni  Ni155  1  0.267325  0.606952  0.631516  1
  Ni  Ni156  1  0.292755  0.070417  0.597937  1
  Ni  Ni157  1  0.289434  0.858514  0.613650  1
  Ni  Ni158  1  0.287475  0.327187  0.576047  1
  Ni  Ni159  1  0.257440  0.697796  0.583072  1
  Ni  Ni160  1  0.265989  0.230110  0.628699  1
  Ni  Ni161  1  0.807826  0.702838  0.588839  1
  Ni  Ni162  1  0.805678  0.224769  0.619670  1
  Ni  Ni163  1  1.012697  0.435137  0.566718  1
  Ni  Ni164  1  1.009381  0.965366  0.605797  1
  Ni  Ni165  1  0.784983  0.837021  0.615242  1
  Ni  Ni166  1  0.792604  0.306955  0.578025  1
  Ni  Ni167  1  0.797562  0.606848  0.633377  1
  Ni  Ni168  1  0.789725  0.093141  0.594800  1
  Ni  Ni169  1  0.763333  0.467219  0.609829  1
  Ni  Ni170  1  0.752705  0.934728  0.563512  1
  Ni  Ni171  1  0.303176  0.463475  0.602500  1
  Ni  Ni172  1  0.313319  0.939617  0.571686  1
  Ni  Ni173  1  0.554583  0.787235  0.696592  1
  Ni  Ni174  1  0.559091  0.259151  0.664385  1
  Ni  Ni175  1  0.318765  0.675749  0.705289  1
  Ni  Ni176  1  0.282598  0.148696  0.671376  1
  Ni  Ni177  1  0.264021  0.892285  0.690538  1
  Ni  Ni178  1  0.275483  0.363317  0.655272  1
  Ni  Ni179  1  0.242303  0.763127  0.667543  1
  Ni  Ni180  1  0.241699  0.284580  0.695710  1
  Ni  Ni181  1  0.818544  0.758155  0.662612  1
  Ni  Ni182  1  0.828206  0.292405  0.701862  1
  Ni  Ni183  1  0.054287  0.491753  0.645597  1
  Ni  Ni184  1  0.057587  0.020658  0.680616  1
  Ni  Ni185  1  0.788485  0.906583  0.689190  1
  Ni  Ni186  1  0.782383  0.385005  0.654418  1
  Ni  Ni187  1  0.730902  0.659085  0.704052  1
  Ni  Ni188  1  0.773346  0.128210  0.673857  1
  Ni  Ni189  1  0.744741  0.526805  0.679566  1
  Ni  Ni190  1  0.747334  -0.004000  0.650558  1
  Ni  Ni191  1  0.341201  0.535882  0.686798  1
  Ni  Ni192  1  0.318219  0.992302  0.643626  1
