# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.92971975
_cell_length_b   7.92886320
_cell_length_c   46.68837411
_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   2876.16058786
_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  0.827204  0.827925  0.347267  1
  Al  Al2  1  0.493630  0.494387  0.282968  1
  Al  Al3  1  0.410015  0.912179  0.313190  1
  Al  Al4  1  0.911458  0.410739  0.313189  1
  Al  Al5  1  0.660210  0.660905  0.408819  1
  Al  Al6  1  0.326804  0.327524  0.347111  1
  Al  Al7  1  0.244043  0.744631  0.377864  1
  Al  Al8  1  0.743924  0.244750  0.377863  1
  Al  Al9  1  0.492579  0.493255  0.471725  1
  Al  Al10  1  0.160257  0.160953  0.408856  1
  Al  Al11  1  0.076234  0.576859  0.440413  1
  Al  Al12  1  0.576172  0.076922  0.440413  1
  Al  Al13  1  0.324904  0.325561  0.534360  1
  Al  Al14  1  0.992573  0.993249  0.471745  1
  Al  Al15  1  0.908779  0.409431  0.503044  1
  Al  Al16  1  0.408765  0.909446  0.503044  1
  Al  Al17  1  0.157497  0.158133  0.597296  1
  Al  Al18  1  0.824918  0.825575  0.534343  1
  Al  Al19  1  0.741163  0.241984  0.565612  1
  Al  Al20  1  0.241339  0.741808  0.565612  1
  Al  Al21  1  0.989655  0.990265  0.658250  1
  Al  Al22  1  0.657339  0.657976  0.597227  1
  Al  Al23  1  0.573345  0.074717  0.628258  1
  Al  Al24  1  0.074092  0.573971  0.628257  1
  Al  Al25  1  0.825300  0.825887  0.720748  1
  Al  Al26  1  0.489375  0.489985  0.658655  1
  Al  Al27  1  0.410263  0.912774  0.693956  1
  Al  Al28  1  0.912169  0.410874  0.693956  1
  Ni  Ni29  1  0.707393  0.951837  0.301125  1
  Ni  Ni30  1  0.203877  0.451901  0.300800  1
  Ni  Ni31  1  0.115856  0.871644  0.331179  1
  Ni  Ni32  1  0.617334  0.370251  0.331359  1
  Ni  Ni33  1  0.951105  0.708142  0.301125  1
  Ni  Ni34  1  0.451166  0.204615  0.300800  1
  Ni  Ni35  1  0.369525  0.618060  0.331358  1
  Ni  Ni36  1  0.870921  0.116580  0.331176  1
  Ni  Ni37  1  0.659478  0.660197  0.314900  1
  Ni  Ni38  1  0.156405  0.157125  0.314457  1
  Ni  Ni39  1  0.232682  0.741305  0.287334  1
  Ni  Ni40  1  0.740545  0.233439  0.287334  1
  Ni  Ni41  1  0.534903  0.787264  0.361442  1
  Ni  Ni42  1  0.035214  0.286856  0.361457  1
  Ni  Ni43  1  0.952319  0.702170  0.393491  1
  Ni  Ni44  1  0.452148  0.202312  0.393470  1
  Ni  Ni45  1  0.786555  0.535612  0.361442  1
  Ni  Ni46  1  0.286148  0.035924  0.361457  1
  Ni  Ni47  1  0.201608  0.452852  0.393470  1
  Ni  Ni48  1  0.701465  0.953023  0.393491  1
  Ni  Ni49  1  0.494244  0.494952  0.377935  1
  Ni  Ni50  1  0.994330  0.995041  0.378106  1
  Ni  Ni51  1  0.077568  0.578025  0.346447  1
  Ni  Ni52  1  0.577305  0.078289  0.346448  1
  Ni  Ni53  1  0.368254  0.618950  0.424793  1
  Ni  Ni54  1  0.868188  0.119049  0.424833  1
  Ni  Ni55  1  0.784397  0.535128  0.455971  1
  Ni  Ni56  1  0.284396  0.035143  0.455990  1
  Ni  Ni57  1  0.618258  0.368946  0.424793  1
  Ni  Ni58  1  0.118356  0.868881  0.424833  1
  Ni  Ni59  1  0.034461  0.285077  0.455990  1
  Ni  Ni60  1  0.534447  0.785078  0.455972  1
  Ni  Ni61  1  0.326295  0.326982  0.440397  1
  Ni  Ni62  1  0.826286  0.826973  0.440392  1
  Ni  Ni63  1  0.910076  0.410684  0.408863  1
  Ni  Ni64  1  0.409988  0.910772  0.408864  1
  Ni  Ni65  1  0.200649  0.451265  0.487373  1
  Ni  Ni66  1  0.700617  0.951295  0.487368  1
  Ni  Ni67  1  0.616847  0.367562  0.518683  1
  Ni  Ni68  1  0.116895  0.867528  0.518695  1
  Ni  Ni69  1  0.450593  0.201321  0.487373  1
  Ni  Ni70  1  0.950623  0.701289  0.487368  1
  Ni  Ni71  1  0.866867  0.117556  0.518695  1
  Ni  Ni72  1  0.366901  0.617508  0.518683  1
  Ni  Ni73  1  0.158752  0.159418  0.503056  1
  Ni  Ni74  1  0.658757  0.659423  0.503031  1
  Ni  Ni75  1  0.742525  0.243253  0.471739  1
  Ni  Ni76  1  0.242576  0.743202  0.471738  1
  Ni  Ni77  1  0.033124  0.283738  0.550127  1
  Ni  Ni78  1  0.533122  0.783734  0.550094  1
  Ni  Ni79  1  0.449049  0.200078  0.581359  1
  Ni  Ni80  1  0.949222  0.699840  0.581308  1
  Ni  Ni81  1  0.283087  0.033776  0.550127  1
  Ni  Ni82  1  0.783082  0.533774  0.550094  1
  Ni  Ni83  1  0.699198  0.949864  0.581308  1
  Ni  Ni84  1  0.199437  0.449690  0.581359  1
  Ni  Ni85  1  0.991279  0.991924  0.565609  1
  Ni  Ni86  1  0.491259  0.491904  0.565610  1
  Ni  Ni87  1  0.574895  0.075638  0.534361  1
  Ni  Ni88  1  0.074982  0.575551  0.534361  1
  Ni  Ni89  1  0.865156  0.116602  0.612388  1
  Ni  Ni90  1  0.365454  0.616179  0.612481  1
  Ni  Ni91  1  0.283083  0.031588  0.644604  1
  Ni  Ni92  1  0.782497  0.531437  0.644632  1
  Ni  Ni93  1  0.115974  0.865783  0.612387  1
  Ni  Ni94  1  0.615551  0.366082  0.612481  1
  Ni  Ni95  1  0.530815  0.783120  0.644633  1
  Ni  Ni96  1  0.030966  0.283705  0.644604  1
  Ni  Ni97  1  0.822613  0.823242  0.628306  1
  Ni  Ni98  1  0.322700  0.323327  0.628651  1
  Ni  Ni99  1  0.407590  0.908034  0.597222  1
  Ni  Ni100  1  0.907398  0.408226  0.597222  1
  Ni  Ni101  1  0.697784  0.951030  0.674784  1
  Ni  Ni102  1  0.199711  0.449120  0.675942  1
  Ni  Ni103  1  0.113884  0.863676  0.703916  1
  Ni  Ni104  1  0.613158  0.362968  0.704236  1
  Ni  Ni105  1  0.950412  0.698399  0.674782  1
  Ni  Ni106  1  0.448501  0.200327  0.675942  1
  Ni  Ni107  1  0.362382  0.613740  0.704236  1
  Ni  Ni108  1  0.863095  0.114480  0.703916  1
  Ni  Ni109  1  0.655136  0.655742  0.690481  1
  Ni  Ni110  1  0.155233  0.155837  0.690183  1
  Ni  Ni111  1  0.242326  0.742834  0.659135  1
  Ni  Ni112  1  0.742224  0.242936  0.659135  1
