# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86683664
_cell_length_b   10.69413365
_cell_length_c   47.65388461
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.86996744
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al66 Ni44'
_cell_volume   3311.37851755
_cell_formula_units_Z   22
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  0.597484  0.768305  0.271616  1
  Al  Al2  1  0.849609  0.217170  0.283691  1
  Al  Al3  1  0.440505  0.049985  0.278337  1
  Al  Al4  1  0.692511  0.535705  0.297912  1
  Al  Al5  1  0.011289  0.915709  0.274680  1
  Al  Al6  1  0.258548  0.394486  0.293116  1
  Al  Al7  1  0.104331  0.700155  0.300372  1
  Al  Al8  1  0.340366  0.220552  0.334000  1
  Al  Al9  1  0.891392  0.016965  0.325419  1
  Al  Al10  1  0.158480  0.496375  0.343899  1
  Al  Al11  1  0.512374  0.875344  0.317028  1
  Al  Al12  1  0.743138  0.361019  0.338297  1
  Al  Al13  1  0.578869  0.678256  0.352911  1
  Al  Al14  1  0.809218  0.146610  0.371054  1
  Al  Al15  1  0.402168  0.978218  0.365809  1
  Al  Al16  1  0.639281  0.463826  0.384303  1
  Al  Al17  1  0.981906  0.836828  0.361117  1
  Al  Al18  1  0.218852  0.318533  0.379641  1
  Al  Al19  1  0.048467  0.629472  0.390907  1
  Al  Al20  1  0.284663  0.107663  0.413785  1
  Al  Al21  1  0.874189  0.941392  0.406736  1
  Al  Al22  1  0.113927  0.420863  0.427334  1
  Al  Al23  1  0.459167  0.799785  0.399502  1
  Al  Al24  1  0.704816  0.283165  0.421896  1
  Al  Al25  1  0.522832  0.586573  0.435228  1
  Al  Al26  1  0.768904  0.074173  0.455936  1
  Al  Al27  1  0.353096  0.901308  0.447900  1
  Al  Al28  1  0.592571  0.383011  0.468791  1
  Al  Al29  1  0.943273  0.761835  0.443093  1
  Al  Al30  1  0.181186  0.242245  0.463056  1
  Al  Al31  1  1.006642  0.553279  0.475941  1
  Al  Al32  1  0.246483  0.032902  0.497313  1
  Al  Al33  1  0.831014  0.862659  0.490227  1
  Al  Al34  1  0.072509  0.343388  0.511573  1
  Al  Al35  1  0.420517  0.722930  0.483187  1
  Al  Al36  1  0.662355  0.203616  0.504439  1
  Al  Al37  1  0.486465  0.513215  0.518878  1
  Al  Al38  1  0.724599  0.992249  0.538818  1
  Al  Al39  1  0.312113  0.824116  0.531703  1
  Al  Al40  1  0.549668  0.304540  0.551622  1
  Al  Al41  1  0.899869  0.683031  0.525993  1
  Al  Al42  1  0.140276  0.165096  0.546824  1
  Al  Al43  1  0.969464  0.479570  0.559446  1
  Al  Al44  1  0.209312  0.958675  0.580803  1
  Al  Al45  1  0.788844  0.783018  0.572855  1
  Al  Al46  1  0.034638  0.266219  0.595575  1
  Al  Al47  1  0.379503  0.645642  0.567345  1
  Al  Al48  1  0.620535  0.125295  0.587730  1
  Al  Al49  1  0.441669  0.433947  0.604038  1
  Al  Al50  1  0.687031  0.920084  0.623636  1
  Al  Al51  1  0.275652  0.747689  0.615087  1
  Al  Al52  1  0.509938  0.229454  0.633301  1
  Al  Al53  1  0.854061  0.602354  0.610427  1
  Al  Al54  1  0.089813  0.087713  0.629382  1
  Al  Al55  1  0.917231  0.387467  0.641658  1
  Al  Al56  1  0.156740  0.848139  0.660516  1
  Al  Al57  1  0.753442  0.705430  0.656519  1
  Al  Al58  1  0.984737  0.193727  0.682859  1
  Al  Al59  1  0.337001  0.569028  0.650430  1
  Al  Al60  1  0.610129  0.051961  0.668164  1
  Al  Al61  1  0.393230  0.364591  0.694183  1
  Al  Al62  1  0.647474  0.841381  0.710613  1
  Al  Al63  1  0.240038  0.671166  0.700972  1
  Al  Al64  1  0.509138  0.147469  0.718204  1
  Al  Al65  1  0.804757  0.528397  0.696279  1
  Al  Al66  1  0.066347  0.011085  0.716617  1
  Ni  Ni67  1  0.209655  0.956182  0.320932  1
  Ni  Ni68  1  0.543563  0.289413  0.293253  1
  Ni  Ni69  1  0.158993  0.143768  0.291578  1
  Ni  Ni70  1  0.407367  0.628421  0.309078  1
  Ni  Ni71  1  0.810184  0.779592  0.314087  1
  Ni  Ni72  1  0.016315  0.260940  0.331228  1
  Ni  Ni73  1  0.609126  0.118241  0.326058  1
  Ni  Ni74  1  0.877713  0.602094  0.344329  1
  Ni  Ni75  1  0.260542  0.741853  0.350617  1
  Ni  Ni76  1  0.516622  0.222981  0.377008  1
  Ni  Ni77  1  0.113845  0.075310  0.368010  1
  Ni  Ni78  1  0.348476  0.556161  0.389788  1
  Ni  Ni79  1  0.749204  0.702699  0.398198  1
  Ni  Ni80  1  0.987469  0.183868  0.416791  1
  Ni  Ni81  1  0.590543  0.039198  0.411145  1
  Ni  Ni82  1  0.829109  0.520771  0.430715  1
  Ni  Ni83  1  0.226723  0.664317  0.436793  1
  Ni  Ni84  1  0.467158  0.144995  0.458650  1
  Ni  Ni85  1  0.065332  0.998818  0.452686  1
  Ni  Ni86  1  0.303609  0.478262  0.474007  1
  Ni  Ni87  1  0.706400  0.625202  0.480055  1
  Ni  Ni88  1  0.949025  0.106635  0.500783  1
  Ni  Ni89  1  0.544454  0.959635  0.493960  1
  Ni  Ni90  1  0.786281  0.440962  0.514648  1
  Ni  Ni91  1  0.189358  0.588103  0.520767  1
  Ni  Ni92  1  0.428011  0.067645  0.541905  1
  Ni  Ni93  1  0.025983  0.921226  0.536023  1
  Ni  Ni94  1  0.265713  0.401923  0.558006  1
  Ni  Ni95  1  0.662743  0.545042  0.564265  1
  Ni  Ni96  1  0.904268  0.027313  0.583571  1
  Ni  Ni97  1  0.506718  0.882577  0.577987  1
  Ni  Ni98  1  0.744195  0.363787  0.596578  1
  Ni  Ni99  1  0.144908  0.510518  0.604740  1
  Ni  Ni100  1  0.381367  0.991493  0.626346  1
  Ni  Ni101  1  0.978469  0.843120  0.617631  1
  Ni  Ni102  1  0.229628  0.320669  0.645192  1
  Ni  Ni103  1  0.616799  0.464030  0.650098  1
  Ni  Ni104  1  0.888265  0.949716  0.669038  1
  Ni  Ni105  1  0.479904  0.805631  0.663085  1
  Ni  Ni106  1  0.687912  0.287924  0.679814  1
  Ni  Ni107  1  0.088044  0.437146  0.685668  1
  Ni  Ni108  1  0.345006  0.921167  0.702506  1
  Ni  Ni109  1  0.956384  0.774801  0.701144  1
  Ni  Ni110  1  0.287032  0.109606  0.673759  1
