# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.90140469
_cell_length_b   13.18445283
_cell_length_c   46.85026170
_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   4880.6586864
_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  0.506257  0.560804  0.275140  1
  Al  Al2  1  0.508355  0.822027  0.309848  1
  Al  Al3  1  0.506292  0.094719  0.347380  1
  Al  Al4  1  0.776085  0.692610  0.291376  1
  Al  Al5  1  0.771097  0.959796  0.330563  1
  Al  Al6  1  0.766287  0.228700  0.365564  1
  Al  Al7  1  0.238210  0.692574  0.291420  1
  Al  Al8  1  0.248054  0.960624  0.329923  1
  Al  Al9  1  0.244013  0.231120  0.366475  1
  Al  Al10  1  1.005888  0.459900  0.330062  1
  Al  Al11  1  0.007760  0.731387  0.366474  1
  Al  Al12  1  1.005164  0.189051  0.291798  1
  Al  Al13  1  0.268313  0.594699  0.347764  1
  Al  Al14  1  0.272663  0.065960  0.275367  1
  Al  Al15  1  0.263659  0.321756  0.309885  1
  Al  Al16  1  0.745780  0.593626  0.347747  1
  Al  Al17  1  0.746091  0.864252  0.384641  1
  Al  Al18  1  0.744431  0.321907  0.309939  1
  Al  Al19  1  0.506080  0.364749  0.384885  1
  Al  Al20  1  0.507169  0.634430  0.421966  1
  Al  Al21  1  0.506428  0.903956  0.459220  1
  Al  Al22  1  0.767335  0.498883  0.403152  1
  Al  Al23  1  0.767650  0.769144  0.440485  1
  Al  Al24  1  0.766483  0.038535  0.477631  1
  Al  Al25  1  0.246395  0.499226  0.403222  1
  Al  Al26  1  0.246285  0.769215  0.440556  1
  Al  Al27  1  0.245993  0.038783  0.477647  1
  Al  Al28  1  1.006125  0.269227  0.440649  1
  Al  Al29  1  0.006843  0.538600  0.477492  1
  Al  Al30  1  1.006528  1.000281  0.403590  1
  Al  Al31  1  0.267164  0.404053  0.459114  1
  Al  Al32  1  0.269358  0.864858  0.384751  1
  Al  Al33  1  0.266568  0.134616  0.421908  1
  Al  Al34  1  0.746507  0.403667  0.458951  1
  Al  Al35  1  0.746087  0.673076  0.496089  1
  Al  Al36  1  0.745192  0.134741  0.422122  1
  Al  Al37  1  0.506618  0.173588  0.496219  1
  Al  Al38  1  0.506719  0.443142  0.533443  1
  Al  Al39  1  0.505969  0.712001  0.570094  1
  Al  Al40  1  0.767250  0.308235  0.514830  1
  Al  Al41  1  0.766856  0.577728  0.551979  1
  Al  Al42  1  0.767428  0.846853  0.588837  1
  Al  Al43  1  0.246702  0.308474  0.514844  1
  Al  Al44  1  0.245426  0.577806  0.552048  1
  Al  Al45  1  0.245252  0.847298  0.588938  1
  Al  Al46  1  0.007124  0.077879  0.551767  1
  Al  Al47  1  1.006581  0.347246  0.588945  1
  Al  Al48  1  1.006313  0.808172  0.514752  1
  Al  Al49  1  0.268065  0.212228  0.570304  1
  Al  Al50  1  0.267042  0.673418  0.496124  1
  Al  Al51  1  0.266653  0.943250  0.533403  1
  Al  Al52  1  0.746648  0.212294  0.570513  1
  Al  Al53  1  0.744113  0.481884  0.607832  1
  Al  Al54  1  0.746092  0.942857  0.533238  1
  Al  Al55  1  0.507228  0.982097  0.607199  1
  Al  Al56  1  0.506735  0.252818  0.644947  1
  Al  Al57  1  0.504563  0.525771  0.682311  1
  Al  Al58  1  0.769905  0.115703  0.625813  1
  Al  Al59  1  0.764821  0.385345  0.662527  1
  Al  Al60  1  0.774505  0.651588  0.700792  1
  Al  Al61  1  0.246383  0.118247  0.626761  1
  Al  Al62  1  0.242094  0.386191  0.661945  1
  Al  Al63  1  0.237088  0.651667  0.700830  1
  Al  Al64  1  0.007593  0.888774  0.660673  1
  Al  Al65  1  0.007870  0.156570  0.700531  1
  Al  Al66  1  1.005262  0.616444  0.626896  1
  Al  Al67  1  0.271616  0.022950  0.682033  1
  Al  Al68  1  0.266582  0.482580  0.607943  1
  Al  Al69  1  0.269956  0.752475  0.644755  1
  Al  Al70  1  0.746939  0.022819  0.682033  1
  Al  Al71  1  0.739822  0.278845  0.717017  1
  Al  Al72  1  0.742385  0.751401  0.644749  1
  Ni  Ni73  1  0.506777  0.462147  0.329774  1
  Ni  Ni74  1  0.507357  0.729710  0.366691  1
  Ni  Ni75  1  0.495578  0.192367  0.293792  1
  Ni  Ni76  1  0.257702  0.411987  0.356517  1
  Ni  Ni77  1  0.254960  0.880072  0.284213  1
  Ni  Ni78  1  0.249800  0.141896  0.321928  1
  Ni  Ni79  1  0.755006  0.410507  0.356589  1
  Ni  Ni80  1  0.762757  0.882398  0.284391  1
  Ni  Ni81  1  0.755397  0.138884  0.319130  1
  Ni  Ni82  1  0.506806  0.545867  0.376693  1
  Ni  Ni83  1  0.515362  0.004737  0.302236  1
  Ni  Ni84  1  0.504130  0.277605  0.339838  1
  Ni  Ni85  1  0.507408  0.645253  0.319809  1
  Ni  Ni86  1  0.507873  0.912712  0.355527  1
  Ni  Ni87  1  0.503722  0.380353  0.283384  1
  Ni  Ni88  1  0.006854  0.565463  0.276477  1
  Ni  Ni89  1  0.007996  0.822391  0.312221  1
  Ni  Ni90  1  1.001823  0.094081  0.347931  1
  Ni  Ni91  1  0.755917  0.505424  0.301819  1
  Ni  Ni92  1  0.755575  0.775711  0.338481  1
  Ni  Ni93  1  0.754708  0.047346  0.376156  1
  Ni  Ni94  1  0.256665  0.505744  0.302043  1
  Ni  Ni95  1  0.260238  0.776954  0.338390  1
  Ni  Ni96  1  0.255654  0.048408  0.375486  1
  Ni  Ni97  1  0.006892  0.640917  0.322846  1
  Ni  Ni98  1  0.009601  0.911127  0.358661  1
  Ni  Ni99  1  1.005446  0.379475  0.284378  1
  Ni  Ni100  1  0.007081  0.550041  0.374777  1
  Ni  Ni101  1  0.009106  0.006250  0.300248  1
  Ni  Ni102  1  1.005425  0.277987  0.337076  1
  Ni  Ni103  1  0.506989  0.269119  0.440328  1
  Ni  Ni104  1  0.506937  0.538592  0.477565  1
  Ni  Ni105  1  0.504934  0.999176  0.403194  1
  Ni  Ni106  1  0.256796  0.221473  0.468358  1
  Ni  Ni107  1  0.257069  0.682054  0.394195  1
  Ni  Ni108  1  0.256605  0.951768  0.431266  1
  Ni  Ni109  1  0.756365  0.221275  0.468476  1
  Ni  Ni110  1  0.757657  0.681679  0.394106  1
  Ni  Ni111  1  0.755624  0.951784  0.431089  1
  Ni  Ni112  1  0.507028  0.354652  0.487843  1
  Ni  Ni113  1  0.507301  0.815557  0.413799  1
  Ni  Ni114  1  0.505859  0.084945  0.450734  1
  Ni  Ni115  1  0.506747  0.453276  0.430241  1
  Ni  Ni116  1  0.506806  0.722771  0.467370  1
  Ni  Ni117  1  0.506379  0.183291  0.392891  1
  Ni  Ni118  1  0.006819  0.365368  0.384252  1
  Ni  Ni119  1  0.007139  0.634666  0.422012  1
  Ni  Ni120  1  1.006095  0.904108  0.459029  1
  Ni  Ni121  1  0.757360  0.316565  0.412274  1
  Ni  Ni122  1  0.756987  0.586257  0.449632  1
  Ni  Ni123  1  0.756556  0.855801  0.486903  1
  Ni  Ni124  1  0.255651  0.317186  0.412772  1
  Ni  Ni125  1  0.257034  0.586499  0.449691  1
  Ni  Ni126  1  0.256050  0.856181  0.486953  1
  Ni  Ni127  1  0.006866  0.450109  0.431955  1
  Ni  Ni128  1  0.006698  0.719855  0.469309  1
  Ni  Ni129  1  1.004625  0.181285  0.395092  1
  Ni  Ni130  1  0.006781  0.357736  0.486111  1
  Ni  Ni131  1  0.007360  0.819142  0.411743  1
  Ni  Ni132  1  1.006227  0.088297  0.448992  1
  Ni  Ni133  1  0.506300  0.077709  0.552164  1
  Ni  Ni134  1  0.508200  0.347997  0.589334  1
  Ni  Ni135  1  0.506187  0.808134  0.514653  1
  Ni  Ni136  1  0.255766  0.030152  0.580065  1
  Ni  Ni137  1  0.256634  0.491029  0.505549  1
  Ni  Ni138  1  0.256068  0.760440  0.542474  1
  Ni  Ni139  1  0.757814  0.029428  0.579568  1
  Ni  Ni140  1  0.757045  0.490659  0.505498  1
  Ni  Ni141  1  0.756173  0.760175  0.542398  1
  Ni  Ni142  1  0.506855  0.163751  0.599517  1
  Ni  Ni143  1  0.506321  0.623790  0.524848  1
  Ni  Ni144  1  0.506448  0.893220  0.561956  1
  Ni  Ni145  1  0.507369  0.262051  0.541747  1
  Ni  Ni146  1  0.505782  0.531891  0.579117  1
  Ni  Ni147  1  0.506180  0.992534  0.504671  1
  Ni  Ni148  1  0.006635  0.173552  0.496265  1
  Ni  Ni149  1  0.007044  0.443060  0.533567  1
  Ni  Ni150  1  1.005955  0.712116  0.570248  1
  Ni  Ni151  1  0.756286  0.125511  0.524092  1
  Ni  Ni152  1  0.756609  0.395173  0.561258  1
  Ni  Ni153  1  0.755515  0.664384  0.598509  1
  Ni  Ni154  1  0.257067  0.125712  0.523983  1
  Ni  Ni155  1  0.257442  0.395187  0.561437  1
  Ni  Ni156  1  0.255910  0.664823  0.598586  1
  Ni  Ni157  1  0.006995  0.258916  0.543533  1
  Ni  Ni158  1  1.005715  0.528623  0.581078  1
  Ni  Ni159  1  1.006432  0.989315  0.506351  1
  Ni  Ni160  1  0.008672  0.166101  0.597284  1
  Ni  Ni161  1  1.006423  0.626873  0.522988  1
  Ni  Ni162  1  1.006362  0.896791  0.560214  1
  Ni  Ni163  1  0.506747  0.886650  0.660588  1
  Ni  Ni164  1  0.517717  0.149754  0.698881  1
  Ni  Ni165  1  0.505646  0.618889  0.627073  1
  Ni  Ni166  1  0.254514  0.838524  0.690725  1
  Ni  Ni167  1  0.258048  0.299522  0.616237  1
  Ni  Ni168  1  0.256820  0.570029  0.653993  1
  Ni  Ni169  1  0.760293  0.838076  0.690525  1
  Ni  Ni170  1  0.757811  0.298322  0.616902  1
  Ni  Ni171  1  0.753316  0.568728  0.654075  1
  Ni  Ni172  1  0.509426  0.952660  0.708210  1
  Ni  Ni173  1  0.505116  0.434866  0.636967  1
  Ni  Ni174  1  0.505844  0.707872  0.675833  1
  Ni  Ni175  1  0.509150  0.070507  0.652012  1
  Ni  Ni176  1  0.497898  0.341242  0.690283  1
  Ni  Ni177  1  0.506428  0.800676  0.614894  1
  Ni  Ni178  1  1.006559  0.981641  0.607844  1
  Ni  Ni179  1  0.011248  0.252673  0.644649  1
  Ni  Ni180  1  1.005012  0.525914  0.680618  1
  Ni  Ni181  1  0.755912  0.934768  0.635004  1
  Ni  Ni182  1  0.762065  0.203449  0.670504  1
  Ni  Ni183  1  0.757012  0.464588  0.708117  1
  Ni  Ni184  1  0.258182  0.936415  0.634979  1
  Ni  Ni185  1  0.258947  0.206517  0.673393  1
  Ni  Ni186  1  0.250922  0.462409  0.707982  1
  Ni  Ni187  1  0.007891  0.069162  0.655318  1
  Ni  Ni188  1  1.003554  0.340212  0.692251  1
  Ni  Ni189  1  1.006087  0.795675  0.617344  1
  Ni  Ni190  1  0.007803  0.964581  0.706725  1
  Ni  Ni191  1  1.003534  0.436150  0.634081  1
  Ni  Ni192  1  1.006308  0.710267  0.671086  1
