# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.87205599
_cell_length_b   7.87290459
_cell_length_c   46.24940942
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al28 Ni84'
_cell_volume   2808.43884063
_cell_formula_units_Z   28
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  0.575360  0.575567  0.347020  1
  Al  Al2  1  0.246578  0.246694  0.286045  1
  Al  Al3  1  0.162374  0.659155  0.316425  1
  Al  Al4  1  0.658945  0.162584  0.316425  1
  Al  Al5  1  0.409178  0.409426  0.409203  1
  Al  Al6  1  0.075363  0.075580  0.345958  1
  Al  Al7  1  0.992653  0.493773  0.377876  1
  Al  Al8  1  0.493543  0.992885  0.377878  1
  Al  Al9  1  0.241372  0.241654  0.471552  1
  Al  Al10  1  0.909075  0.909324  0.408920  1
  Al  Al11  1  0.825482  0.325352  0.440328  1
  Al  Al12  1  0.325087  0.825746  0.440328  1
  Al  Al13  1  0.073672  0.073987  0.534130  1
  Al  Al14  1  0.741434  0.741714  0.471727  1
  Al  Al15  1  0.657716  0.157717  0.502921  1
  Al  Al16  1  0.157419  0.658014  0.502920  1
  Al  Al17  1  0.906139  0.906483  0.597048  1
  Al  Al18  1  0.573741  0.574053  0.534259  1
  Al  Al19  1  0.489927  0.990041  0.565487  1
  Al  Al20  1  0.989710  0.490258  0.565487  1
  Al  Al21  1  0.739285  0.739664  0.659259  1
  Al  Al22  1  0.405872  0.406221  0.596536  1
  Al  Al23  1  0.321469  0.823663  0.627961  1
  Al  Al24  1  0.823300  0.321836  0.627964  1
  Al  Al25  1  0.567197  0.567712  0.718957  1
  Al  Al26  1  0.239300  0.239688  0.658543  1
  Al  Al27  1  0.160459  0.655541  0.690159  1
  Al  Al28  1  0.655142  0.160846  0.690157  1
  Ni  Ni29  1  0.865442  0.618870  0.330983  1
  Ni  Ni30  1  0.368315  0.116712  0.331467  1
  Ni  Ni31  1  0.453337  0.700963  0.298914  1
  Ni  Ni32  1  0.949220  0.201509  0.298661  1
  Ni  Ni33  1  0.905248  0.905476  0.313004  1
  Ni  Ni34  1  0.410971  0.411180  0.315314  1
  Ni  Ni35  1  0.502628  0.993528  0.284858  1
  Ni  Ni36  1  0.993402  0.502742  0.284855  1
  Ni  Ni37  1  0.618664  0.865649  0.330989  1
  Ni  Ni38  1  0.116516  0.368510  0.331465  1
  Ni  Ni39  1  0.201328  0.949402  0.298662  1
  Ni  Ni40  1  0.700780  0.453510  0.298911  1
  Ni  Ni41  1  0.701332  0.451118  0.393562  1
  Ni  Ni42  1  0.200756  0.951232  0.393169  1
  Ni  Ni43  1  0.284693  0.534656  0.362562  1
  Ni  Ni44  1  0.785609  0.033804  0.361844  1
  Ni  Ni45  1  0.742658  0.742883  0.377950  1
  Ni  Ni46  1  0.242294  0.242527  0.377886  1
  Ni  Ni47  1  0.327508  0.826543  0.346435  1
  Ni  Ni48  1  0.826329  0.327723  0.346433  1
  Ni  Ni49  1  0.450881  0.701569  0.393562  1
  Ni  Ni50  1  0.950991  0.200999  0.393169  1
  Ni  Ni51  1  0.033572  0.785837  0.361842  1
  Ni  Ni52  1  0.534432  0.284917  0.362562  1
  Ni  Ni53  1  0.533519  0.283483  0.456002  1
  Ni  Ni54  1  0.033175  0.783800  0.455994  1
  Ni  Ni55  1  0.116989  0.367563  0.424666  1
  Ni  Ni56  1  0.617355  0.867378  0.424805  1
  Ni  Ni57  1  0.575339  0.575602  0.440445  1
  Ni  Ni58  1  0.075161  0.075428  0.440189  1
  Ni  Ni59  1  0.158521  0.660090  0.409090  1
  Ni  Ni60  1  0.659842  0.158772  0.409091  1
  Ni  Ni61  1  0.283210  0.533792  0.456002  1
  Ni  Ni62  1  0.783527  0.033448  0.455995  1
  Ni  Ni63  1  0.867124  0.617609  0.424804  1
  Ni  Ni64  1  0.367306  0.117246  0.424667  1
  Ni  Ni65  1  0.365659  0.115885  0.518498  1
  Ni  Ni66  1  0.865592  0.615977  0.518627  1
  Ni  Ni67  1  0.949557  0.199711  0.487214  1
  Ni  Ni68  1  0.449433  0.699844  0.487313  1
  Ni  Ni69  1  0.407556  0.407854  0.502903  1
  Ni  Ni70  1  0.907567  0.907864  0.502936  1
  Ni  Ni71  1  0.991361  0.491772  0.471646  1
  Ni  Ni72  1  0.491492  0.991642  0.471646  1
  Ni  Ni73  1  0.115579  0.365966  0.518497  1
  Ni  Ni74  1  0.615672  0.865897  0.518628  1
  Ni  Ni75  1  0.699555  0.449722  0.487313  1
  Ni  Ni76  1  0.199421  0.949847  0.487213  1
  Ni  Ni77  1  0.197505  0.948543  0.581107  1
  Ni  Ni78  1  0.698260  0.448048  0.581129  1
  Ni  Ni79  1  0.782011  0.031880  0.549885  1
  Ni  Ni80  1  0.281555  0.532261  0.549801  1
  Ni  Ni81  1  0.239734  0.240068  0.565326  1
  Ni  Ni82  1  0.739996  0.740324  0.565649  1
  Ni  Ni83  1  0.823866  0.323825  0.534194  1
  Ni  Ni84  1  0.323511  0.824179  0.534194  1
  Ni  Ni85  1  0.948203  0.197845  0.581108  1
  Ni  Ni86  1  0.447711  0.698595  0.581128  1
  Ni  Ni87  1  0.531939  0.281878  0.549802  1
  Ni  Ni88  1  0.031558  0.782333  0.549884  1
  Ni  Ni89  1  0.030416  0.781524  0.644032  1
  Ni  Ni90  1  0.530455  0.281014  0.643169  1
  Ni  Ni91  1  0.614035  0.864777  0.612611  1
  Ni  Ni92  1  0.113880  0.364497  0.612196  1
  Ni  Ni93  1  0.072360  0.072723  0.628313  1
  Ni  Ni94  1  0.572439  0.572796  0.627818  1
  Ni  Ni95  1  0.656678  0.155778  0.596737  1
  Ni  Ni96  1  0.155429  0.657023  0.596736  1
  Ni  Ni97  1  0.781156  0.030779  0.644032  1
  Ni  Ni98  1  0.280638  0.530827  0.643168  1
  Ni  Ni99  1  0.364139  0.114241  0.612195  1
  Ni  Ni100  1  0.864425  0.614391  0.612611  1
  Ni  Ni101  1  0.865475  0.613059  0.706525  1
  Ni  Ni102  1  0.361781  0.113099  0.706611  1
  Ni  Ni103  1  0.446437  0.700263  0.674158  1
  Ni  Ni104  1  0.948363  0.198273  0.675655  1
  Ni  Ni105  1  0.907155  0.907540  0.691979  1
  Ni  Ni106  1  0.402652  0.403053  0.690052  1
  Ni  Ni107  1  0.488398  0.991163  0.659397  1
  Ni  Ni108  1  0.990781  0.488787  0.659400  1
  Ni  Ni109  1  0.612633  0.865899  0.706522  1
  Ni  Ni110  1  0.112674  0.362209  0.706613  1
  Ni  Ni111  1  0.197893  0.948743  0.675653  1
  Ni  Ni112  1  0.699871  0.446829  0.674165  1
