# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.58744276
_cell_length_b   6.35126186
_cell_length_c   49.60855178
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.84640831
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al63 Ni42'
_cell_volume   3312.07159426
_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  0.208941  0.347525  0.290049  1
  Al  Al2  1  0.547574  0.096525  0.299402  1
  Al  Al3  1  0.901918  0.981885  0.325089  1
  Al  Al4  1  0.460899  0.477420  0.300504  1
  Al  Al5  1  0.776556  0.366250  0.318066  1
  Al  Al6  1  0.127274  0.236413  0.340270  1
  Al  Al7  1  0.304294  0.807262  0.291927  1
  Al  Al8  1  0.674498  0.724261  0.308470  1
  Al  Al9  1  0.027027  0.609685  0.326691  1
  Al  Al10  1  0.246032  0.855502  0.344647  1
  Al  Al11  1  0.595698  0.714327  0.363934  1
  Al  Al12  1  0.941436  0.583894  0.385659  1
  Al  Al13  1  0.479042  0.109812  0.357910  1
  Al  Al14  1  0.824051  0.975587  0.379343  1
  Al  Al15  1  0.175339  0.845650  0.401091  1
  Al  Al16  1  0.356783  0.465819  0.349268  1
  Al  Al17  1  0.709816  0.332045  0.370664  1
  Al  Al18  1  0.056747  0.204075  0.392267  1
  Al  Al19  1  0.289437  0.460285  0.406565  1
  Al  Al20  1  0.636549  0.330366  0.427486  1
  Al  Al21  1  0.984760  0.200497  0.448688  1
  Al  Al22  1  0.521514  0.715546  0.421352  1
  Al  Al23  1  0.868691  0.585581  0.442346  1
  Al  Al24  1  0.216866  0.455920  0.463530  1
  Al  Al25  1  0.405843  0.075165  0.412480  1
  Al  Al26  1  0.752820  0.942978  0.433732  1
  Al  Al27  1  0.100547  0.814813  0.454756  1
  Al  Al28  1  0.332541  0.070156  0.469470  1
  Al  Al29  1  0.680024  0.940225  0.490367  1
  Al  Al30  1  0.027746  0.810433  0.511399  1
  Al  Al31  1  0.564133  0.325864  0.484254  1
  Al  Al32  1  0.911607  0.196061  0.505291  1
  Al  Al33  1  0.259594  0.065775  0.526252  1
  Al  Al34  1  0.448387  0.684777  0.475471  1
  Al  Al35  1  0.796078  0.554455  0.496484  1
  Al  Al36  1  0.143504  0.424750  0.517461  1
  Al  Al37  1  0.375383  0.680278  0.532269  1
  Al  Al38  1  0.723202  0.550208  0.553172  1
  Al  Al39  1  0.070841  0.419993  0.574174  1
  Al  Al40  1  0.607314  0.936011  0.547037  1
  Al  Al41  1  0.954804  0.807140  0.568129  1
  Al  Al42  1  0.302371  0.675316  0.589074  1
  Al  Al43  1  0.491310  0.294573  0.538263  1
  Al  Al44  1  0.839228  0.165039  0.559474  1
  Al  Al45  1  0.185973  0.034811  0.580284  1
  Al  Al46  1  0.418274  0.289907  0.594999  1
  Al  Al47  1  0.766753  0.166165  0.616354  1
  Al  Al48  1  0.113726  0.035097  0.637577  1
  Al  Al49  1  0.650800  0.546301  0.609821  1
  Al  Al50  1  0.999110  0.419331  0.631173  1
  Al  Al51  1  0.347964  0.284902  0.651335  1
  Al  Al52  1  0.533436  0.904309  0.600763  1
  Al  Al53  1  0.883586  0.774669  0.622641  1
  Al  Al54  1  0.229651  0.642296  0.643516  1
  Al  Al55  1  0.461138  0.899135  0.656991  1
  Al  Al56  1  0.807782  0.770728  0.676763  1
  Al  Al57  1  0.160481  0.638762  0.700846  1
  Al  Al58  1  0.687898  0.149202  0.673448  1
  Al  Al59  1  0.040712  0.034921  0.693123  1
  Al  Al60  1  0.397354  0.917235  0.710654  1
  Al  Al61  1  0.577899  0.512284  0.662288  1
  Al  Al62  1  0.925188  0.387586  0.683516  1
  Al  Al63  1  0.271545  0.266897  0.702497  1
  Ni  Ni64  1  0.460455  0.800950  0.327979  1
  Ni  Ni65  1  0.770540  0.062182  0.287747  1
  Ni  Ni66  1  0.114561  0.964056  0.305873  1
  Ni  Ni67  1  0.338767  0.151003  0.318813  1
  Ni  Ni68  1  0.684730  0.028381  0.338899  1
  Ni  Ni69  1  0.984064  0.286251  0.299488  1
  Ni  Ni70  1  0.500006  0.410376  0.389753  1
  Ni  Ni71  1  0.809841  0.668267  0.348664  1
  Ni  Ni72  1  0.152081  0.544749  0.369408  1
  Ni  Ni73  1  0.385163  0.770007  0.381127  1
  Ni  Ni74  1  0.730499  0.639236  0.402074  1
  Ni  Ni75  1  0.035607  0.895908  0.361567  1
  Ni  Ni76  1  0.543483  0.020162  0.452817  1
  Ni  Ni77  1  0.847089  0.277688  0.411188  1
  Ni  Ni78  1  0.196385  0.151135  0.432101  1
  Ni  Ni79  1  0.425744  0.380135  0.444098  1
  Ni  Ni80  1  0.773255  0.249962  0.465002  1
  Ni  Ni81  1  0.078526  0.510335  0.423442  1
  Ni  Ni82  1  0.586600  0.630281  0.515676  1
  Ni  Ni83  1  0.891228  0.890010  0.473887  1
  Ni  Ni84  1  0.239008  0.760512  0.494832  1
  Ni  Ni85  1  0.468882  0.990052  0.506930  1
  Ni  Ni86  1  0.816588  0.860561  0.527907  1
  Ni  Ni87  1  0.121328  0.120268  0.486113  1
  Ni  Ni88  1  0.629738  0.240380  0.578474  1
  Ni  Ni89  1  0.934372  0.500688  0.536732  1
  Ni  Ni90  1  0.281886  0.370272  0.557568  1
  Ni  Ni91  1  0.511829  0.599500  0.569672  1
  Ni  Ni92  1  0.860494  0.472599  0.590754  1
  Ni  Ni93  1  0.164189  0.730260  0.548881  1
  Ni  Ni94  1  0.671938  0.853324  0.640428  1
  Ni  Ni95  1  0.977292  0.111307  0.599779  1
  Ni  Ni96  1  0.323355  0.979402  0.620282  1
  Ni  Ni97  1  0.555438  0.207257  0.632089  1
  Ni  Ni98  1  0.901323  0.083247  0.653135  1
  Ni  Ni99  1  0.207384  0.340720  0.611681  1
  Ni  Ni100  1  0.714239  0.469463  0.702635  1
  Ni  Ni101  1  0.023779  0.723966  0.662874  1
  Ni  Ni102  1  0.373481  0.594589  0.682520  1
  Ni  Ni103  1  0.596753  0.804900  0.694390  1
  Ni  Ni104  1  0.941311  0.693595  0.713596  1
  Ni  Ni105  1  0.248411  0.947915  0.673775  1
