# generated using pymatgen
data_Al4Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.34978281
_cell_length_b   11.27361355
_cell_length_c   57.90470184
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al4Ni3
_chemical_formula_sum   'Al128 Ni96'
_cell_volume   7409.08409578
_cell_formula_units_Z   32
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  0.255812  0.757902  0.353918  1
  Al  Al2  1  0.505350  0.506691  0.404171  1
  Al  Al3  1  0.005350  0.507152  0.404171  1
  Al  Al4  1  0.504572  0.007156  0.404164  1
  Al  Al5  1  0.254788  0.256865  0.454282  1
  Al  Al6  1  0.755812  0.255942  0.353918  1
  Al  Al7  1  0.254122  0.257913  0.353917  1
  Al  Al8  1  0.509621  0.498428  0.302805  1
  Al  Al9  1  0.742720  0.506953  0.454306  1
  Al  Al10  1  0.504974  0.756927  0.406867  1
  Al  Al11  1  0.504961  0.256885  0.501704  1
  Al  Al12  1  0.254599  0.994788  0.404256  1
  Al  Al13  1  0.755367  0.519062  0.404261  1
  Al  Al14  1  0.993762  0.509491  0.354602  1
  Al  Al15  1  0.754432  0.745525  0.404291  1
  Al  Al16  1  0.504980  0.756981  0.451646  1
  Al  Al17  1  0.255511  0.768341  0.404290  1
  Al  Al18  1  0.505015  0.256871  0.456953  1
  Al  Al19  1  0.770076  0.509922  0.354331  1
  Al  Al20  1  0.516855  0.506833  0.454312  1
  Al  Al21  1  0.270076  0.503921  0.354331  1
  Al  Al22  1  0.504966  0.256912  0.401661  1
  Al  Al23  1  0.504972  0.756919  0.306127  1
  Al  Al24  1  0.754599  0.019056  0.404256  1
  Al  Al25  1  0.255367  0.494782  0.404261  1
  Al  Al26  1  0.016855  0.507010  0.454312  1
  Al  Al27  1  0.254432  0.268318  0.404291  1
  Al  Al28  1  0.504976  0.256925  0.357416  1
  Al  Al29  1  0.755511  0.245503  0.404290  1
  Al  Al30  1  0.504972  0.756914  0.351324  1
  Al  Al31  1  0.242720  0.506891  0.454306  1
  Al  Al32  1  0.493762  0.504352  0.354602  1
  Al  Al33  1  0.755056  0.256900  0.454295  1
  Al  Al34  1  1.000320  0.998431  0.302806  1
  Al  Al35  1  0.500320  0.015412  0.302806  1
  Al  Al36  1  0.009621  0.515415  0.302805  1
  Al  Al37  1  0.754122  0.755931  0.353917  1
  Al  Al38  1  0.255056  0.756944  0.454295  1
  Al  Al39  1  0.754788  0.756978  0.454282  1
  Al  Al40  1  0.004572  1.006688  0.404164  1
  Al  Al41  1  0.239864  1.003918  0.354329  1
  Al  Al42  1  0.004972  0.256925  0.306127  1
  Al  Al43  1  0.004966  0.756931  0.401661  1
  Al  Al44  1  0.770599  0.498501  0.305862  1
  Al  Al45  1  0.239347  0.015341  0.305862  1
  Al  Al46  1  0.493102  0.007034  0.454332  1
  Al  Al47  1  0.253765  0.253678  0.304363  1
  Al  Al48  1  0.004972  0.256930  0.351324  1
  Al  Al49  1  0.756177  0.260170  0.304363  1
  Al  Al50  1  0.004976  0.756918  0.357416  1
  Al  Al51  1  0.267207  1.006894  0.454318  1
  Al  Al52  1  0.016181  1.004355  0.354598  1
  Al  Al53  1  0.767207  0.006950  0.454318  1
  Al  Al54  1  0.004961  0.756959  0.501704  1
  Al  Al55  1  0.004974  0.256916  0.406867  1
  Al  Al56  1  0.270599  0.515342  0.305862  1
  Al  Al57  1  0.739347  0.998502  0.305862  1
  Al  Al58  1  0.516181  0.009488  0.354598  1
  Al  Al59  1  0.753765  0.760165  0.304363  1
  Al  Al60  1  0.005015  0.756972  0.456953  1
  Al  Al61  1  0.256177  0.753673  0.304363  1
  Al  Al62  1  0.004980  0.256863  0.451646  1
  Al  Al63  1  0.739864  0.009925  0.354329  1
  Al  Al64  1  0.993102  1.006809  0.454332  1
  Al  Al65  1  0.254375  0.756603  0.554602  1
  Al  Al66  1  0.505604  0.509917  0.605297  1
  Al  Al67  1  0.005604  0.503927  0.605297  1
  Al  Al68  1  0.505689  0.009109  0.604188  1
  Al  Al69  1  0.250320  0.263474  0.653134  1
  Al  Al70  1  0.754375  0.257240  0.554602  1
  Al  Al71  1  0.254459  0.256962  0.554337  1
  Al  Al72  1  0.504929  0.506809  0.504335  1
  Al  Al73  1  0.739063  0.506659  0.655579  1
  Al  Al74  1  0.503434  0.755828  0.607075  1
  Al  Al75  1  0.360078  0.116009  0.686315  1
  Al  Al76  1  0.255152  0.993552  0.604287  1
  Al  Al77  1  0.754897  0.518114  0.605089  1
  Al  Al78  1  0.993162  0.507091  0.554476  1
  Al  Al79  1  0.757580  0.743724  0.604164  1
  Al  Al80  1  0.502931  0.760416  0.651484  1
  Al  Al81  1  0.255313  0.767186  0.604584  1
  Al  Al82  1  0.507254  0.259998  0.659373  1
  Al  Al83  1  0.767236  0.507207  0.554439  1
  Al  Al84  1  0.516261  0.508846  0.654921  1
  Al  Al85  1  0.267236  0.506636  0.554439  1
  Al  Al86  1  0.503370  0.259870  0.601595  1
  Al  Al87  1  0.504929  0.756917  0.507063  1
  Al  Al88  1  0.755152  0.020291  0.604287  1
  Al  Al89  1  0.254897  0.495730  0.605089  1
  Al  Al90  1  0.016261  0.504998  0.654921  1
  Al  Al91  1  0.257580  0.270120  0.604164  1
  Al  Al92  1  0.505457  0.257153  0.557030  1
  Al  Al93  1  0.755313  0.246658  0.604584  1
  Al  Al94  1  0.504768  0.756167  0.551845  1
  Al  Al95  1  0.239063  0.507184  0.655579  1
  Al  Al96  1  0.493162  0.506753  0.554476  1
  Al  Al97  1  0.748139  0.257391  0.657359  1
  Al  Al98  1  0.004938  0.007071  0.504421  1
  Al  Al99  1  0.504938  1.006772  0.504421  1
  Al  Al100  1  0.004929  0.507035  0.504335  1
  Al  Al101  1  0.754459  0.756881  0.554337  1
  Al  Al102  1  0.248139  0.756452  0.657359  1
  Al  Al103  1  0.750320  0.750369  0.653134  1
  Al  Al104  1  0.005689  1.004734  0.604188  1
  Al  Al105  1  0.242453  1.006871  0.554421  1
  Al  Al106  1  0.004929  0.256927  0.507063  1
  Al  Al107  1  1.003370  0.753974  0.601595  1
  Al  Al108  1  0.755099  0.495086  0.504346  1
  Al  Al109  1  0.255112  0.018756  0.504386  1
  Al  Al110  1  0.494492  0.998780  0.651865  1
  Al  Al111  1  0.254976  0.245448  0.504369  1
  Al  Al112  1  0.004768  0.257676  0.551845  1
  Al  Al113  1  0.755017  0.268457  0.504369  1
  Al  Al114  1  0.005457  0.756690  0.557030  1
  Al  Al115  1  0.267460  0.995371  0.651477  1
  Al  Al116  1  0.016884  0.007384  0.554361  1
  Al  Al117  1  0.767460  0.018473  0.651477  1
  Al  Al118  1  0.860078  0.897835  0.686315  1
  Al  Al119  1  1.003434  0.258016  0.607075  1
  Al  Al120  1  0.255099  0.518758  0.504346  1
  Al  Al121  1  0.755112  0.995088  0.504386  1
  Al  Al122  1  0.516884  1.006459  0.554361  1
  Al  Al123  1  0.754976  0.768395  0.504369  1
  Al  Al124  1  0.007254  0.753845  0.659373  1
  Al  Al125  1  0.255017  0.745387  0.504369  1
  Al  Al126  1  1.002931  0.253427  0.651484  1
  Al  Al127  1  0.742453  0.006973  0.554421  1
  Al  Al128  1  0.994492  0.015064  0.651865  1
  Ni  Ni129  1  0.628994  0.874827  0.380329  1
  Ni  Ni130  1  0.632653  0.620324  0.329844  1
  Ni  Ni131  1  0.370802  0.125154  0.379156  1
  Ni  Ni132  1  0.386764  0.381311  0.430536  1
  Ni  Ni133  1  0.623186  0.132468  0.430531  1
  Ni  Ni134  1  0.380947  0.639019  0.380332  1
  Ni  Ni135  1  0.393373  0.365450  0.328154  1
  Ni  Ni136  1  0.386721  0.632489  0.478066  1
  Ni  Ni137  1  0.873482  0.389060  0.429303  1
  Ni  Ni138  1  0.639138  0.388697  0.379162  1
  Ni  Ni139  1  0.123274  0.381334  0.377873  1
  Ni  Ni140  1  0.129518  0.638649  0.428010  1
  Ni  Ni141  1  0.380433  0.138610  0.428014  1
  Ni  Ni142  1  0.373120  0.388684  0.479284  1
  Ni  Ni143  1  0.636439  0.889138  0.429298  1
  Ni  Ni144  1  0.623274  0.632510  0.377873  1
  Ni  Ni145  1  0.386671  0.881327  0.377868  1
  Ni  Ni146  1  0.629518  0.375195  0.428010  1
  Ni  Ni147  1  0.629236  0.638769  0.480599  1
  Ni  Ni148  1  0.626279  0.381814  0.330656  1
  Ni  Ni149  1  0.139138  0.625147  0.379162  1
  Ni  Ni150  1  0.373482  0.624784  0.429303  1
  Ni  Ni151  1  0.886764  0.632533  0.430536  1
  Ni  Ni152  1  0.880947  0.374825  0.380332  1
  Ni  Ni153  1  0.129236  0.375075  0.480599  1
  Ni  Ni154  1  0.136439  0.124706  0.429298  1
  Ni  Ni155  1  0.873120  0.625160  0.479284  1
  Ni  Ni156  1  0.883662  0.881807  0.330656  1
  Ni  Ni157  1  0.126279  0.632030  0.330656  1
  Ni  Ni158  1  0.880699  0.138747  0.480607  1
  Ni  Ni159  1  0.880433  0.875234  0.428014  1
  Ni  Ni160  1  0.886671  0.132517  0.377868  1
  Ni  Ni161  1  0.377286  0.893507  0.329844  1
  Ni  Ni162  1  0.136790  0.888854  0.479331  1
  Ni  Ni163  1  0.623250  0.881422  0.478098  1
  Ni  Ni164  1  0.616569  0.148401  0.328153  1
  Ni  Ni165  1  0.893373  0.648394  0.328154  1
  Ni  Ni166  1  0.870802  0.888690  0.379156  1
  Ni  Ni167  1  0.132653  0.393519  0.329844  1
  Ni  Ni168  1  0.123250  0.132421  0.478098  1
  Ni  Ni169  1  0.886721  0.381355  0.478066  1
  Ni  Ni170  1  0.116569  0.865443  0.328153  1
  Ni  Ni171  1  0.128994  0.139016  0.380329  1
  Ni  Ni172  1  0.123186  0.881375  0.430531  1
  Ni  Ni173  1  0.636790  0.124989  0.479331  1
  Ni  Ni174  1  0.877286  0.120336  0.329844  1
  Ni  Ni175  1  0.383662  0.132037  0.330656  1
  Ni  Ni176  1  0.380699  0.875097  0.480607  1
  Ni  Ni177  1  0.629341  0.874421  0.580800  1
  Ni  Ni178  1  0.636626  0.624773  0.529394  1
  Ni  Ni179  1  0.373007  0.125077  0.579249  1
  Ni  Ni180  1  0.389117  0.382086  0.631140  1
  Ni  Ni181  1  0.619414  0.139478  0.630486  1
  Ni  Ni182  1  0.380192  0.637342  0.580748  1
  Ni  Ni183  1  0.380719  0.375121  0.528134  1
  Ni  Ni184  1  0.387723  0.631386  0.677742  1
  Ni  Ni185  1  0.869217  0.386711  0.630411  1
  Ni  Ni186  1  0.636322  0.390539  0.579597  1
  Ni  Ni187  1  0.123604  0.382031  0.578304  1
  Ni  Ni188  1  0.129010  0.639626  0.628524  1
  Ni  Ni189  1  0.382066  0.142347  0.628491  1
  Ni  Ni190  1  0.370430  0.392744  0.678420  1
  Ni  Ni191  1  0.639752  0.886491  0.628370  1
  Ni  Ni192  1  0.623604  0.631813  0.578304  1
  Ni  Ni193  1  0.386992  0.881066  0.578172  1
  Ni  Ni194  1  0.629010  0.374218  0.628524  1
  Ni  Ni195  1  0.619894  0.653183  0.680214  1
  Ni  Ni196  1  0.623467  0.381618  0.530633  1
  Ni  Ni197  1  0.136322  0.623304  0.579597  1
  Ni  Ni198  1  0.369217  0.627133  0.630411  1
  Ni  Ni199  1  0.889117  0.631758  0.631140  1
  Ni  Ni200  1  0.880192  0.376501  0.580748  1
  Ni  Ni201  1  0.119894  0.360660  0.680214  1
  Ni  Ni202  1  0.139752  0.127353  0.628370  1
  Ni  Ni203  1  0.870430  0.621100  0.678420  1
  Ni  Ni204  1  0.886697  0.881345  0.530689  1
  Ni  Ni205  1  0.123467  0.632225  0.530633  1
  Ni  Ni206  1  0.889915  0.137051  0.679972  1
  Ni  Ni207  1  0.882066  0.871496  0.628491  1
  Ni  Ni208  1  0.886992  0.132778  0.578172  1
  Ni  Ni209  1  0.372913  0.888384  0.529500  1
  Ni  Ni210  1  0.127240  0.908016  0.677963  1
  Ni  Ni211  1  0.632034  0.886105  0.676464  1
  Ni  Ni212  1  0.629389  0.138839  0.528136  1
  Ni  Ni213  1  0.880719  0.638723  0.528134  1
  Ni  Ni214  1  0.873007  0.888767  0.579249  1
  Ni  Ni215  1  0.136626  0.389071  0.529394  1
  Ni  Ni216  1  0.132034  0.127739  0.676464  1
  Ni  Ni217  1  0.887723  0.382457  0.677742  1
  Ni  Ni218  1  0.129389  0.875005  0.528136  1
  Ni  Ni219  1  0.129341  0.139422  0.580800  1
  Ni  Ni220  1  0.119414  0.874365  0.630486  1
  Ni  Ni221  1  0.627240  0.105828  0.677963  1
  Ni  Ni222  1  0.872913  0.125460  0.529500  1
  Ni  Ni223  1  0.386697  0.132498  0.530689  1
  Ni  Ni224  1  0.389915  0.876792  0.679972  1
