# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.05392255
_cell_length_b   12.83142454
_cell_length_c   45.69103854
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.90653073
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al54 Ni162'
_cell_volume   5422.08229911
_cell_formula_units_Z   54
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  0.482926  0.268582  0.309742  1
  Al  Al2  1  0.981786  0.270856  0.310454  1
  Al  Al3  1  0.549554  0.635048  0.294223  1
  Al  Al4  1  0.618968  0.996466  0.278980  1
  Al  Al5  1  0.049879  0.635034  0.294219  1
  Al  Al6  1  0.912693  0.906255  0.327435  1
  Al  Al7  1  0.276530  0.180455  0.359706  1
  Al  Al8  1  0.777277  0.180457  0.359710  1
  Al  Al9  1  0.345340  0.543647  0.343275  1
  Al  Al10  1  0.415408  0.906255  0.327438  1
  Al  Al11  1  0.845634  0.543053  0.343258  1
  Al  Al12  1  0.708939  0.816345  0.376783  1
  Al  Al13  1  0.072477  0.089162  0.410146  1
  Al  Al14  1  0.572417  0.089305  0.410271  1
  Al  Al15  1  0.141011  0.452286  0.393230  1
  Al  Al16  1  0.208823  0.816567  0.376736  1
  Al  Al17  1  0.640876  0.452278  0.393240  1
  Al  Al18  1  0.504387  0.725329  0.426941  1
  Al  Al19  1  0.867932  0.998123  0.460311  1
  Al  Al20  1  0.367945  0.998104  0.460300  1
  Al  Al21  1  0.936233  0.361566  0.443520  1
  Al  Al22  1  0.004359  0.725340  0.426928  1
  Al  Al23  1  0.436255  0.361529  0.443478  1
  Al  Al24  1  0.299841  0.634278  0.476936  1
  Al  Al25  1  0.663465  0.907002  0.510423  1
  Al  Al26  1  0.163383  0.907010  0.510407  1
  Al  Al27  1  0.731656  0.270628  0.493676  1
  Al  Al28  1  0.799843  0.634240  0.476944  1
  Al  Al29  1  0.231604  0.270650  0.493631  1
  Al  Al30  1  0.095279  0.543267  0.527031  1
  Al  Al31  1  0.458853  0.816015  0.560529  1
  Al  Al32  1  0.958848  0.816020  0.560485  1
  Al  Al33  1  0.527082  0.179622  0.543795  1
  Al  Al34  1  0.595302  0.543188  0.527070  1
  Al  Al35  1  0.027064  0.179611  0.543792  1
  Al  Al36  1  0.890815  0.452089  0.577153  1
  Al  Al37  1  0.254221  0.725247  0.610654  1
  Al  Al38  1  0.754112  0.725245  0.610656  1
  Al  Al39  1  0.322616  0.088389  0.593808  1
  Al  Al40  1  0.390766  0.452092  0.577147  1
  Al  Al41  1  0.822505  0.088623  0.594061  1
  Al  Al42  1  0.686359  0.360819  0.627464  1
  Al  Al43  1  0.049263  0.634906  0.660673  1
  Al  Al44  1  0.549729  0.633971  0.660711  1
  Al  Al45  1  0.117644  0.997317  0.644262  1
  Al  Al46  1  0.186112  0.361310  0.627269  1
  Al  Al47  1  0.618525  0.997322  0.644263  1
  Al  Al48  1  0.479601  0.270359  0.677269  1
  Al  Al49  1  0.844378  0.544180  0.709681  1
  Al  Al50  1  0.344743  0.544162  0.709681  1
  Al  Al51  1  0.913590  0.906126  0.693247  1
  Al  Al52  1  0.983443  0.270360  0.677273  1
  Al  Al53  1  0.412555  0.908195  0.693877  1
  Al  Al54  1  0.274122  0.185083  0.723896  1
  Ni  Ni55  1  0.232539  0.269711  0.309471  1
  Ni  Ni56  1  0.732173  0.269714  0.309475  1
  Ni  Ni57  1  0.299743  0.634995  0.293707  1
  Ni  Ni58  1  0.368356  0.998081  0.278428  1
  Ni  Ni59  1  0.800048  0.634370  0.293594  1
  Ni  Ni60  1  0.867968  0.998067  0.278426  1
  Ni  Ni61  1  0.196717  0.088108  0.318228  1
  Ni  Ni62  1  0.697399  0.088794  0.318930  1
  Ni  Ni63  1  0.265858  0.452459  0.301789  1
  Ni  Ni64  1  0.332985  0.817304  0.285917  1
  Ni  Ni65  1  0.765541  0.452271  0.301774  1
  Ni  Ni66  1  0.834012  0.815468  0.285704  1
  Ni  Ni67  1  0.448180  0.088800  0.318930  1
  Ni  Ni68  1  0.949544  0.088114  0.318223  1
  Ni  Ni69  1  0.516141  0.452467  0.301790  1
  Ni  Ni70  1  0.584953  0.815476  0.285705  1
  Ni  Ni71  1  0.016637  0.452270  0.301770  1
  Ni  Ni72  1  0.084149  0.817264  0.285915  1
  Ni  Ni73  1  0.026902  0.180453  0.360182  1
  Ni  Ni74  1  0.526741  0.180789  0.360208  1
  Ni  Ni75  1  0.095555  0.543423  0.343527  1
  Ni  Ni76  1  0.163561  0.907218  0.326954  1
  Ni  Ni77  1  0.595343  0.543424  0.343533  1
  Ni  Ni78  1  0.664123  0.906108  0.327435  1
  Ni  Ni79  1  0.992678  0.998683  0.368514  1
  Ni  Ni80  1  0.492620  0.998810  0.368647  1
  Ni  Ni81  1  0.061430  0.361653  0.351631  1
  Ni  Ni82  1  0.129503  0.725071  0.335447  1
  Ni  Ni83  1  0.561048  0.361605  0.351495  1
  Ni  Ni84  1  0.629621  0.724733  0.335379  1
  Ni  Ni85  1  0.242875  0.998677  0.368515  1
  Ni  Ni86  1  0.742814  0.998812  0.368647  1
  Ni  Ni87  1  0.311642  0.361603  0.351492  1
  Ni  Ni88  1  0.379764  0.725075  0.335449  1
  Ni  Ni89  1  0.811206  0.361652  0.351635  1
  Ni  Ni90  1  0.879990  0.724734  0.335375  1
  Ni  Ni91  1  0.822454  0.089353  0.410147  1
  Ni  Ni92  1  0.322323  0.089347  0.410140  1
  Ni  Ni93  1  0.890882  0.452400  0.393366  1
  Ni  Ni94  1  0.959007  0.816380  0.376999  1
  Ni  Ni95  1  0.390891  0.452393  0.393312  1
  Ni  Ni96  1  0.458836  0.816372  0.377005  1
  Ni  Ni97  1  0.788329  0.907329  0.418605  1
  Ni  Ni98  1  0.288323  0.907354  0.418571  1
  Ni  Ni99  1  0.856596  0.270798  0.401751  1
  Ni  Ni100  1  0.924894  0.634223  0.385169  1
  Ni  Ni101  1  0.356476  0.270804  0.401703  1
  Ni  Ni102  1  0.424821  0.634333  0.385196  1
  Ni  Ni103  1  0.038412  0.907364  0.418570  1
  Ni  Ni104  1  0.538460  0.907320  0.418606  1
  Ni  Ni105  1  0.106748  0.270801  0.401744  1
  Ni  Ni106  1  0.175045  0.634335  0.385191  1
  Ni  Ni107  1  0.606874  0.270802  0.401710  1
  Ni  Ni108  1  0.675077  0.634219  0.385175  1
  Ni  Ni109  1  0.617965  0.998089  0.460341  1
  Ni  Ni110  1  0.117936  0.998091  0.460298  1
  Ni  Ni111  1  0.686207  0.361621  0.443497  1
  Ni  Ni112  1  0.754367  0.725344  0.426882  1
  Ni  Ni113  1  0.186197  0.361640  0.443477  1
  Ni  Ni114  1  0.254319  0.725445  0.426869  1
  Ni  Ni115  1  0.583916  0.816181  0.468669  1
  Ni  Ni116  1  0.083878  0.816218  0.468647  1
  Ni  Ni117  1  0.652120  0.179920  0.451930  1
  Ni  Ni118  1  0.720325  0.543287  0.435158  1
  Ni  Ni119  1  0.152049  0.179862  0.451900  1
  Ni  Ni120  1  0.220369  0.543314  0.435140  1
  Ni  Ni121  1  0.833875  0.816189  0.468660  1
  Ni  Ni122  1  0.333865  0.816209  0.468656  1
  Ni  Ni123  1  0.902087  0.179866  0.451914  1
  Ni  Ni124  1  0.970429  0.543300  0.435147  1
  Ni  Ni125  1  0.401988  0.179916  0.451916  1
  Ni  Ni126  1  0.470388  0.543301  0.435151  1
  Ni  Ni127  1  0.413436  0.906985  0.510403  1
  Ni  Ni128  1  0.913414  0.907022  0.510404  1
  Ni  Ni129  1  0.481633  0.270643  0.493655  1
  Ni  Ni130  1  0.549853  0.634220  0.476970  1
  Ni  Ni131  1  0.981631  0.270628  0.493661  1
  Ni  Ni132  1  0.049859  0.634243  0.476947  1
  Ni  Ni133  1  0.379356  0.725123  0.518741  1
  Ni  Ni134  1  0.879342  0.725116  0.518723  1
  Ni  Ni135  1  0.447520  0.088852  0.502040  1
  Ni  Ni136  1  0.515756  0.452386  0.485278  1
  Ni  Ni137  1  0.947498  0.088857  0.502058  1
  Ni  Ni138  1  0.015751  0.452424  0.485271  1
  Ni  Ni139  1  0.629358  0.725109  0.518746  1
  Ni  Ni140  1  0.129365  0.725131  0.518718  1
  Ni  Ni141  1  0.697529  0.088871  0.502068  1
  Ni  Ni142  1  0.765751  0.452395  0.485290  1
  Ni  Ni143  1  0.197498  0.088837  0.502030  1
  Ni  Ni144  1  0.265775  0.452414  0.485258  1
  Ni  Ni145  1  0.208835  0.815996  0.560517  1
  Ni  Ni146  1  0.708891  0.815988  0.560523  1
  Ni  Ni147  1  0.277068  0.179613  0.543745  1
  Ni  Ni148  1  0.345296  0.543242  0.527045  1
  Ni  Ni149  1  0.777085  0.179607  0.543846  1
  Ni  Ni150  1  0.845273  0.543236  0.527053  1
  Ni  Ni151  1  0.174831  0.634165  0.568799  1
  Ni  Ni152  1  0.674812  0.634095  0.568834  1
  Ni  Ni153  1  0.242916  0.997767  0.552133  1
  Ni  Ni154  1  0.311170  0.361425  0.535378  1
  Ni  Ni155  1  0.743023  0.997863  0.552185  1
  Ni  Ni156  1  0.811203  0.361369  0.535429  1
  Ni  Ni157  1  0.424780  0.634101  0.568831  1
  Ni  Ni158  1  0.924705  0.634160  0.568802  1
  Ni  Ni159  1  0.493051  0.997771  0.552138  1
  Ni  Ni160  1  0.561216  0.361370  0.535423  1
  Ni  Ni161  1  0.992860  0.997859  0.552180  1
  Ni  Ni162  1  0.061188  0.361424  0.535384  1
  Ni  Ni163  1  0.004259  0.725062  0.610534  1
  Ni  Ni164  1  0.504314  0.724951  0.610614  1
  Ni  Ni165  1  0.072503  0.088392  0.593919  1
  Ni  Ni166  1  0.140722  0.452231  0.577123  1
  Ni  Ni167  1  0.572729  0.088397  0.593921  1
  Ni  Ni168  1  0.640822  0.452024  0.577199  1
  Ni  Ni169  1  0.970177  0.543326  0.618794  1
  Ni  Ni170  1  0.470340  0.543046  0.618817  1
  Ni  Ni171  1  0.038232  0.906985  0.602285  1
  Ni  Ni172  1  0.106670  0.270376  0.585489  1
  Ni  Ni173  1  0.538500  0.906906  0.602298  1
  Ni  Ni174  1  0.606680  0.270325  0.585594  1
  Ni  Ni175  1  0.220057  0.543325  0.618793  1
  Ni  Ni176  1  0.720169  0.543045  0.618819  1
  Ni  Ni177  1  0.288199  0.906904  0.602296  1
  Ni  Ni178  1  0.356597  0.270381  0.585488  1
  Ni  Ni179  1  0.788388  0.906985  0.602287  1
  Ni  Ni180  1  0.856651  0.270321  0.585596  1
  Ni  Ni181  1  0.799293  0.634566  0.660352  1
  Ni  Ni182  1  0.299572  0.634562  0.660351  1
  Ni  Ni183  1  0.867719  0.998052  0.644130  1
  Ni  Ni184  1  0.936357  0.360813  0.627311  1
  Ni  Ni185  1  0.368057  0.997368  0.643916  1
  Ni  Ni186  1  0.436365  0.360817  0.627307  1
  Ni  Ni187  1  0.765574  0.452830  0.668552  1
  Ni  Ni188  1  0.265185  0.453597  0.668547  1
  Ni  Ni189  1  0.833632  0.816034  0.652165  1
  Ni  Ni190  1  0.902505  0.178992  0.635692  1
  Ni  Ni191  1  0.334070  0.815938  0.652296  1
  Ni  Ni192  1  0.402535  0.178799  0.635395  1
  Ni  Ni193  1  0.014630  0.453605  0.668547  1
  Ni  Ni194  1  0.515017  0.452831  0.668551  1
  Ni  Ni195  1  0.083787  0.816035  0.652165  1
  Ni  Ni196  1  0.152177  0.178796  0.635397  1
  Ni  Ni197  1  0.583443  0.815942  0.652297  1
  Ni  Ni198  1  0.652021  0.178995  0.635691  1
  Ni  Ni199  1  0.595262  0.542773  0.710303  1
  Ni  Ni200  1  0.094638  0.544036  0.710362  1
  Ni  Ni201  1  0.662822  0.907267  0.694183  1
  Ni  Ni202  1  0.731413  0.270586  0.677079  1
  Ni  Ni203  1  0.163224  0.907264  0.694182  1
  Ni  Ni204  1  0.230463  0.272470  0.676160  1
  Ni  Ni205  1  0.560864  0.361505  0.717798  1
  Ni  Ni206  1  0.059942  0.364182  0.717934  1
  Ni  Ni207  1  0.628951  0.725409  0.702113  1
  Ni  Ni208  1  0.696681  0.090265  0.686394  1
  Ni  Ni209  1  0.129283  0.725759  0.702120  1
  Ni  Ni210  1  0.196747  0.089000  0.685348  1
  Ni  Ni211  1  0.811000  0.361516  0.717802  1
  Ni  Ni212  1  0.309257  0.364136  0.717936  1
  Ni  Ni213  1  0.878263  0.725759  0.702121  1
  Ni  Ni214  1  0.946423  0.090259  0.686395  1
  Ni  Ni215  1  0.378940  0.725399  0.702114  1
  Ni  Ni216  1  0.447617  0.088998  0.685346  1
