# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.90583686
_cell_length_b   15.26374801
_cell_length_c   47.77587248
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   103.09172451
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al99 Ni66'
_cell_volume   4905.11238292
_cell_formula_units_Z   33
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  0.687418  0.891371  0.271809  1
  Al  Al2  1  0.845062  0.213443  0.284008  1
  Al  Al3  1  0.005521  0.540189  0.297520  1
  Al  Al4  1  0.459730  0.099590  0.281099  1
  Al  Al5  1  0.617783  0.425740  0.294593  1
  Al  Al6  1  0.779872  0.753460  0.307984  1
  Al  Al7  1  0.075509  0.997623  0.278502  1
  Al  Al8  1  0.231393  0.326727  0.290406  1
  Al  Al9  1  0.392617  0.655554  0.303182  1
  Al  Al10  1  0.164425  0.861884  0.312692  1
  Al  Al11  1  0.334178  0.194202  0.328521  1
  Al  Al12  1  0.497541  0.521925  0.342210  1
  Al  Al13  1  0.944787  0.083062  0.322652  1
  Al  Al14  1  0.108628  0.409937  0.336228  1
  Al  Al15  1  0.273848  0.736624  0.349804  1
  Al  Al16  1  0.563065  0.981434  0.319702  1
  Al  Al17  1  0.724619  0.307267  0.331983  1
  Al  Al18  1  0.886969  0.633792  0.345589  1
  Al  Al19  1  0.658664  0.846926  0.354762  1
  Al  Al20  1  0.825004  0.176919  0.368261  1
  Al  Al21  1  0.989218  0.504103  0.381898  1
  Al  Al22  1  0.435613  0.065502  0.364094  1
  Al  Al23  1  0.601475  0.392571  0.377566  1
  Al  Al24  1  0.763035  0.718666  0.391734  1
  Al  Al25  1  0.049729  0.960425  0.359117  1
  Al  Al26  1  0.212249  0.288222  0.373191  1
  Al  Al27  1  0.375020  0.615199  0.387005  1
  Al  Al28  1  0.151681  0.830415  0.396192  1
  Al  Al29  1  0.315980  0.158720  0.410577  1
  Al  Al30  1  0.479780  0.485817  0.424427  1
  Al  Al31  1  0.926427  0.045771  0.405656  1
  Al  Al32  1  0.091036  0.373422  0.419653  1
  Al  Al33  1  0.255469  0.700857  0.433536  1
  Al  Al34  1  0.539285  0.942576  0.400788  1
  Al  Al35  1  0.704886  0.270719  0.415323  1
  Al  Al36  1  0.869006  0.597840  0.429244  1
  Al  Al37  1  0.643499  0.813353  0.438277  1
  Al  Al38  1  0.807126  0.140237  0.452270  1
  Al  Al39  1  0.970754  0.467595  0.466183  1
  Al  Al40  1  0.419455  0.028277  0.447351  1
  Al  Al41  1  0.582665  0.355894  0.461449  1
  Al  Al42  1  0.745979  0.683082  0.475422  1
  Al  Al43  1  0.031811  0.924809  0.443001  1
  Al  Al44  1  0.195062  0.252111  0.457063  1
  Al  Al45  1  0.358434  0.579511  0.470939  1
  Al  Al46  1  0.134400  0.794789  0.480154  1
  Al  Al47  1  0.297984  0.121927  0.494108  1
  Al  Al48  1  0.461824  0.449887  0.508103  1
  Al  Al49  1  0.909629  0.010082  0.489363  1
  Al  Al50  1  0.073439  0.337566  0.503325  1
  Al  Al51  1  0.237740  0.664954  0.517358  1
  Al  Al52  1  0.522021  0.906826  0.484911  1
  Al  Al53  1  0.686328  0.234213  0.498875  1
  Al  Al54  1  0.850146  0.561721  0.512862  1
  Al  Al55  1  0.625278  0.776963  0.522119  1
  Al  Al56  1  0.789010  0.104159  0.536028  1
  Al  Al57  1  0.952643  0.431643  0.549936  1
  Al  Al58  1  0.401336  0.992265  0.531295  1
  Al  Al59  1  0.564746  0.319687  0.545118  1
  Al  Al60  1  0.727924  0.646997  0.559256  1
  Al  Al61  1  0.013702  0.888688  0.526831  1
  Al  Al62  1  0.177162  0.215887  0.540755  1
  Al  Al63  1  0.340356  0.543540  0.554892  1
  Al  Al64  1  0.116159  0.758437  0.563998  1
  Al  Al65  1  0.280047  0.085887  0.577787  1
  Al  Al66  1  0.443696  0.412836  0.591576  1
  Al  Al67  1  0.890783  0.973939  0.572983  1
  Al  Al68  1  0.054821  0.301070  0.586858  1
  Al  Al69  1  0.219996  0.629214  0.601500  1
  Al  Al70  1  0.504297  0.870921  0.568724  1
  Al  Al71  1  0.668819  0.198362  0.582521  1
  Al  Al72  1  0.833119  0.526135  0.596608  1
  Al  Al73  1  0.608188  0.741350  0.606139  1
  Al  Al74  1  0.770901  0.067735  0.620313  1
  Al  Al75  1  0.935050  0.394984  0.633887  1
  Al  Al76  1  0.384799  0.956462  0.615273  1
  Al  Al77  1  0.547963  0.283508  0.628979  1
  Al  Al78  1  0.710762  0.611768  0.643364  1
  Al  Al79  1  0.996476  0.853121  0.610531  1
  Al  Al80  1  0.158547  0.179206  0.624595  1
  Al  Al81  1  0.325544  0.506213  0.637998  1
  Al  Al82  1  0.100781  0.725736  0.647462  1
  Al  Al83  1  0.262442  0.050138  0.659963  1
  Al  Al84  1  0.426197  0.377259  0.673582  1
  Al  Al85  1  0.872732  0.937853  0.656636  1
  Al  Al86  1  0.035654  0.264398  0.670176  1
  Al  Al87  1  0.193095  0.589702  0.681828  1
  Al  Al88  1  0.485611  0.834822  0.652497  1
  Al  Al89  1  0.651328  0.161876  0.666009  1
  Al  Al90  1  0.813454  0.488579  0.679383  1
  Al  Al91  1  0.591750  0.709237  0.689344  1
  Al  Al92  1  0.753470  0.031283  0.704675  1
  Al  Al93  1  0.916754  0.358421  0.718052  1
  Al  Al94  1  0.365525  0.916519  0.698542  1
  Al  Al95  1  0.529322  0.245480  0.711833  1
  Al  Al96  1  0.687510  0.576802  0.723497  1
  Al  Al97  1  0.977012  0.818480  0.694606  1
  Al  Al98  1  0.142128  0.146296  0.707660  1
  Al  Al99  1  0.305015  0.472828  0.720269  1
  Ni  Ni100  1  0.379934  0.935125  0.277531  1
  Ni  Ni101  1  0.523892  0.258555  0.289552  1
  Ni  Ni102  1  0.684574  0.585669  0.302950  1
  Ni  Ni103  1  0.163675  0.164605  0.285613  1
  Ni  Ni104  1  0.326013  0.493525  0.299282  1
  Ni  Ni105  1  0.484700  0.822974  0.310433  1
  Ni  Ni106  1  0.856422  0.915179  0.316004  1
  Ni  Ni107  1  0.023975  0.242975  0.327885  1
  Ni  Ni108  1  0.187423  0.570157  0.341215  1
  Ni  Ni109  1  0.646366  0.148690  0.324029  1
  Ni  Ni110  1  0.808740  0.475055  0.337541  1
  Ni  Ni111  1  0.968476  0.799690  0.352438  1
  Ni  Ni112  1  0.348911  0.897080  0.356077  1
  Ni  Ni113  1  0.517914  0.226467  0.371271  1
  Ni  Ni114  1  0.681301  0.553058  0.385105  1
  Ni  Ni115  1  0.131893  0.126651  0.367077  1
  Ni  Ni116  1  0.296431  0.453862  0.380846  1
  Ni  Ni117  1  0.461080  0.781513  0.394495  1
  Ni  Ni118  1  0.842237  0.879392  0.398348  1
  Ni  Ni119  1  0.005210  0.206566  0.412354  1
  Ni  Ni120  1  0.168906  0.533998  0.426175  1
  Ni  Ni121  1  0.626726  0.110073  0.408254  1
  Ni  Ni122  1  0.790762  0.437646  0.422068  1
  Ni  Ni123  1  0.953459  0.764360  0.436199  1
  Ni  Ni124  1  0.332958  0.861543  0.440188  1
  Ni  Ni125  1  0.497310  0.189017  0.454401  1
  Ni  Ni126  1  0.660957  0.516510  0.468315  1
  Ni  Ni127  1  0.116795  0.091347  0.450208  1
  Ni  Ni128  1  0.280629  0.418808  0.464179  1
  Ni  Ni129  1  0.444555  0.746227  0.478109  1
  Ni  Ni130  1  0.824322  0.843594  0.482250  1
  Ni  Ni131  1  0.988024  0.170734  0.496210  1
  Ni  Ni132  1  0.151704  0.498273  0.510158  1
  Ni  Ni133  1  0.608096  0.073518  0.492058  1
  Ni  Ni134  1  0.771774  0.401067  0.505995  1
  Ni  Ni135  1  0.935386  0.728173  0.520016  1
  Ni  Ni136  1  0.315133  0.825546  0.524161  1
  Ni  Ni137  1  0.479144  0.152971  0.538028  1
  Ni  Ni138  1  0.642996  0.480478  0.552011  1
  Ni  Ni139  1  0.098844  0.055274  0.533900  1
  Ni  Ni140  1  0.262346  0.382790  0.547777  1
  Ni  Ni141  1  0.426786  0.710238  0.562127  1
  Ni  Ni142  1  0.806150  0.807401  0.566083  1
  Ni  Ni143  1  0.969118  0.134140  0.580123  1
  Ni  Ni144  1  0.133159  0.461755  0.593923  1
  Ni  Ni145  1  0.590911  0.037759  0.576066  1
  Ni  Ni146  1  0.754666  0.365295  0.589823  1
  Ni  Ni147  1  0.917301  0.692392  0.603945  1
  Ni  Ni148  1  0.298843  0.790263  0.607754  1
  Ni  Ni149  1  0.463723  0.117886  0.621339  1
  Ni  Ni150  1  0.628162  0.445148  0.635025  1
  Ni  Ni151  1  0.078553  0.018659  0.617116  1
  Ni  Ni152  1  0.241897  0.345243  0.630899  1
  Ni  Ni153  1  0.409660  0.674559  0.646025  1
  Ni  Ni154  1  0.790937  0.772212  0.649998  1
  Ni  Ni155  1  0.951009  0.096605  0.664717  1
  Ni  Ni156  1  0.113542  0.422930  0.677940  1
  Ni  Ni157  1  0.572580  1.001675  0.660901  1
  Ni  Ni158  1  0.736700  0.328796  0.674296  1
  Ni  Ni159  1  0.907036  0.658033  0.686843  1
  Ni  Ni160  1  0.268286  0.747191  0.692318  1
  Ni  Ni161  1  0.433536  0.078433  0.702927  1
  Ni  Ni162  1  0.599005  0.407939  0.716424  1
  Ni  Ni163  1  0.074621  0.986577  0.699130  1
  Ni  Ni164  1  0.237132  0.313482  0.712605  1
  Ni  Ni165  1  0.366130  0.637377  0.723929  1
