# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95044929
_cell_length_b   14.20786294
_cell_length_c   46.88884386
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al63 Ni42'
_cell_volume   3297.94113091
_cell_formula_units_Z   21
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  0.943486  0.671765  0.310470  1
  Al  Al2  1  0.959092  0.416050  0.288216  1
  Al  Al3  1  0.057135  0.143459  0.276307  1
  Al  Al4  1  0.386943  0.579771  0.288645  1
  Al  Al5  1  0.361589  0.108394  0.327804  1
  Al  Al6  1  0.349987  0.822614  0.301556  1
  Al  Al7  1  0.638109  0.526846  0.334056  1
  Al  Al8  1  0.649502  0.250253  0.302824  1
  Al  Al9  1  0.651727  0.991846  0.288582  1
  Al  Al10  1  0.981210  0.482142  0.378366  1
  Al  Al11  1  0.978445  0.221233  0.359477  1
  Al  Al12  1  1.003306  0.949738  0.342054  1
  Al  Al13  1  0.341732  0.366439  0.349860  1
  Al  Al14  1  0.343471  0.907195  0.387245  1
  Al  Al15  1  0.348818  0.636549  0.366334  1
  Al  Al16  1  0.645447  0.332600  0.393033  1
  Al  Al17  1  0.647930  0.064562  0.373426  1
  Al  Al18  1  0.629755  0.798298  0.352694  1
  Al  Al19  1  0.990792  0.292534  0.444546  1
  Al  Al20  1  1.001708  0.024005  0.422920  1
  Al  Al21  1  0.014836  0.753581  0.399798  1
  Al  Al22  1  0.357324  0.177022  0.410714  1
  Al  Al23  1  0.355695  0.711379  0.449339  1
  Al  Al24  1  0.355288  0.445078  0.430541  1
  Al  Al25  1  0.646956  0.140346  0.457539  1
  Al  Al26  1  0.642572  0.870816  0.436161  1
  Al  Al27  1  0.644245  0.601840  0.412905  1
  Al  Al28  1  0.006163  0.099446  0.506768  1
  Al  Al29  1  1.000172  0.829119  0.484125  1
  Al  Al30  1  0.999044  0.560382  0.463176  1
  Al  Al31  1  0.355731  0.981890  0.471536  1
  Al  Al32  1  0.358644  0.520487  0.513720  1
  Al  Al33  1  0.355195  0.251757  0.493984  1
  Al  Al34  1  0.650295  0.946641  0.519366  1
  Al  Al35  1  0.651219  0.676706  0.496903  1
  Al  Al36  1  0.647459  0.407979  0.477115  1
  Al  Al37  1  0.004046  0.904401  0.568018  1
  Al  Al38  1  0.016496  0.636035  0.546253  1
  Al  Al39  1  0.006766  0.367993  0.527714  1
  Al  Al40  1  0.359243  0.788181  0.533311  1
  Al  Al41  1  0.362206  0.326681  0.577972  1
  Al  Al42  1  0.363706  0.057660  0.554786  1
  Al  Al43  1  0.649015  0.751679  0.580111  1
  Al  Al44  1  0.650302  0.483090  0.560255  1
  Al  Al45  1  0.650973  0.217113  0.541547  1
  Al  Al46  1  0.024461  0.706597  0.631242  1
  Al  Al47  1  0.024938  0.446882  0.612563  1
  Al  Al48  1  0.991927  0.174728  0.591048  1
  Al  Al49  1  0.359732  0.595972  0.597886  1
  Al  Al50  1  0.376670  0.130450  0.638036  1
  Al  Al51  1  0.359467  0.863431  0.617559  1
  Al  Al52  1  0.664361  0.563042  0.640980  1
  Al  Al53  1  0.657125  0.292033  0.624626  1
  Al  Al54  1  0.663125  0.020876  0.603708  1
  Al  Al55  1  0.042884  0.512763  0.702378  1
  Al  Al56  1  0.059301  0.257145  0.680245  1
  Al  Al57  1  0.004754  0.978458  0.648896  1
  Al  Al58  1  0.366315  0.402251  0.656653  1
  Al  Al59  1  0.354224  0.935328  0.700460  1
  Al  Al60  1  0.347826  0.680547  0.689644  1
  Al  Al61  1  0.616771  0.349955  0.702110  1
  Al  Al62  1  0.657034  0.103960  0.689040  1
  Al  Al63  1  0.645091  0.817825  0.663489  1
  Ni  Ni64  1  0.451304  0.409293  0.300815  1
  Ni  Ni65  1  0.857893  0.103090  0.324258  1
  Ni  Ni66  1  0.846480  0.841896  0.306782  1
  Ni  Ni67  1  0.139007  0.518056  0.330085  1
  Ni  Ni68  1  0.153949  0.265138  0.312092  1
  Ni  Ni69  1  0.156744  0.985953  0.295626  1
  Ni  Ni70  1  0.834129  0.370261  0.339460  1
  Ni  Ni71  1  0.836869  0.908327  0.388701  1
  Ni  Ni72  1  0.851522  0.644309  0.364075  1
  Ni  Ni73  1  0.147911  0.329903  0.396929  1
  Ni  Ni74  1  0.153744  0.068498  0.375125  1
  Ni  Ni75  1  0.136401  0.786064  0.349299  1
  Ni  Ni76  1  0.849932  0.178917  0.408705  1
  Ni  Ni77  1  0.850190  0.715402  0.448081  1
  Ni  Ni78  1  0.847683  0.446951  0.427996  1
  Ni  Ni79  1  0.153108  0.138104  0.458476  1
  Ni  Ni80  1  0.150171  0.867592  0.435990  1
  Ni  Ni81  1  0.147952  0.595648  0.414219  1
  Ni  Ni82  1  0.849921  0.985670  0.471206  1
  Ni  Ni83  1  0.852063  0.521936  0.511845  1
  Ni  Ni84  1  0.848055  0.254038  0.492979  1
  Ni  Ni85  1  0.156099  0.942884  0.519727  1
  Ni  Ni86  1  0.158353  0.674475  0.497832  1
  Ni  Ni87  1  0.154073  0.406491  0.479041  1
  Ni  Ni88  1  0.853146  0.790416  0.532389  1
  Ni  Ni89  1  0.858611  0.332849  0.576756  1
  Ni  Ni90  1  0.856052  0.060812  0.554905  1
  Ni  Ni91  1  0.156353  0.749620  0.582177  1
  Ni  Ni92  1  0.158074  0.481505  0.562867  1
  Ni  Ni93  1  0.156477  0.213088  0.542799  1
  Ni  Ni94  1  0.856920  0.598375  0.593682  1
  Ni  Ni95  1  0.870021  0.142078  0.641448  1
  Ni  Ni96  1  0.852744  0.859859  0.615903  1
  Ni  Ni97  1  0.172688  0.559431  0.651688  1
  Ni  Ni98  1  0.154166  0.284364  0.626726  1
  Ni  Ni99  1  0.169738  0.019789  0.602234  1
  Ni  Ni100  1  0.865349  0.411282  0.660710  1
  Ni  Ni101  1  0.853152  0.938918  0.695061  1
  Ni  Ni102  1  0.850520  0.664748  0.678965  1
  Ni  Ni103  1  0.550879  0.520279  0.689728  1
  Ni  Ni104  1  0.160424  0.087396  0.683938  1
  Ni  Ni105  1  0.144443  0.823706  0.666145  1
