# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.88737291
_cell_length_b   17.32029835
_cell_length_c   49.82842803
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al72 Ni216'
_cell_volume   6634.78313382
_cell_formula_units_Z   72
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  0.161160  0.823753  0.271201  1
  Al  Al2  1  0.318216  0.141201  0.295036  1
  Al  Al3  1  0.473690  0.456225  0.321639  1
  Al  Al4  1  0.473690  0.956225  0.321639  1
  Al  Al5  1  0.161160  0.323753  0.271201  1
  Al  Al6  1  0.318216  0.641201  0.295036  1
  Al  Al7  1  0.973690  0.956225  0.321639  1
  Al  Al8  1  0.661160  0.323753  0.271201  1
  Al  Al9  1  0.818216  0.641201  0.295036  1
  Al  Al10  1  0.661160  0.823753  0.271201  1
  Al  Al11  1  0.818216  0.141201  0.295036  1
  Al  Al12  1  0.973690  0.456225  0.321639  1
  Al  Al13  1  0.628375  0.770400  0.347260  1
  Al  Al14  1  0.783384  0.086127  0.372373  1
  Al  Al15  1  0.937584  0.400328  0.397857  1
  Al  Al16  1  0.937584  0.900328  0.397857  1
  Al  Al17  1  0.628375  0.270400  0.347260  1
  Al  Al18  1  0.783384  0.586127  0.372373  1
  Al  Al19  1  0.437584  0.900328  0.397857  1
  Al  Al20  1  0.128375  0.270400  0.347260  1
  Al  Al21  1  0.283384  0.586127  0.372373  1
  Al  Al22  1  0.128375  0.770400  0.347260  1
  Al  Al23  1  0.283384  0.086127  0.372373  1
  Al  Al24  1  0.437584  0.400328  0.397857  1
  Al  Al25  1  0.092477  0.716049  0.424094  1
  Al  Al26  1  0.247210  0.031284  0.449380  1
  Al  Al27  1  0.401797  0.346464  0.475131  1
  Al  Al28  1  0.401797  0.846464  0.475131  1
  Al  Al29  1  0.092477  0.216049  0.424094  1
  Al  Al30  1  0.247210  0.531284  0.449380  1
  Al  Al31  1  0.901797  0.846464  0.475131  1
  Al  Al32  1  0.592477  0.216049  0.424094  1
  Al  Al33  1  0.747210  0.531284  0.449380  1
  Al  Al34  1  0.592477  0.716049  0.424094  1
  Al  Al35  1  0.747210  0.031284  0.449380  1
  Al  Al36  1  0.901797  0.346464  0.475131  1
  Al  Al37  1  0.556376  0.661588  0.500947  1
  Al  Al38  1  0.711044  0.976768  0.526296  1
  Al  Al39  1  0.865824  0.292291  0.552234  1
  Al  Al40  1  0.865824  0.792291  0.552234  1
  Al  Al41  1  0.556376  0.161588  0.500947  1
  Al  Al42  1  0.711044  0.476768  0.526296  1
  Al  Al43  1  0.365824  0.792291  0.552234  1
  Al  Al44  1  0.056376  0.161588  0.500947  1
  Al  Al45  1  0.211044  0.476768  0.526296  1
  Al  Al46  1  0.056376  0.661588  0.500947  1
  Al  Al47  1  0.211044  0.976768  0.526296  1
  Al  Al48  1  0.365824  0.292291  0.552234  1
  Al  Al49  1  0.020115  0.606827  0.577898  1
  Al  Al50  1  0.175113  0.922651  0.603262  1
  Al  Al51  1  0.329929  0.237845  0.628936  1
  Al  Al52  1  0.329929  0.737845  0.628936  1
  Al  Al53  1  0.020115  0.106827  0.577898  1
  Al  Al54  1  0.175113  0.422651  0.603262  1
  Al  Al55  1  0.829929  0.737845  0.628936  1
  Al  Al56  1  0.520115  0.106827  0.577898  1
  Al  Al57  1  0.675113  0.422651  0.603262  1
  Al  Al58  1  0.520115  0.606827  0.577898  1
  Al  Al59  1  0.675113  0.922651  0.603262  1
  Al  Al60  1  0.829929  0.237845  0.628936  1
  Al  Al61  1  0.484263  0.551961  0.655637  1
  Al  Al62  1  0.639750  0.867933  0.679454  1
  Al  Al63  1  0.794747  0.181645  0.705085  1
  Al  Al64  1  0.794747  0.681645  0.705085  1
  Al  Al65  1  0.484263  0.051961  0.655637  1
  Al  Al66  1  0.639750  0.367933  0.679454  1
  Al  Al67  1  0.294747  0.681645  0.705085  1
  Al  Al68  1  0.984263  0.051961  0.655637  1
  Al  Al69  1  0.139750  0.367933  0.679454  1
  Al  Al70  1  0.984263  0.551961  0.655637  1
  Al  Al71  1  0.139750  0.867933  0.679454  1
  Al  Al72  1  0.294747  0.181645  0.705085  1
  Ni  Ni73  1  0.029600  0.063233  0.289061  1
  Ni  Ni74  1  0.184661  0.377085  0.315153  1
  Ni  Ni75  1  0.340213  0.692448  0.340057  1
  Ni  Ni76  1  0.241064  0.985158  0.282289  1
  Ni  Ni77  1  0.395288  0.296439  0.306167  1
  Ni  Ni78  1  0.550492  0.612130  0.334793  1
  Ni  Ni79  1  0.762262  0.034524  0.327671  1
  Ni  Ni80  1  0.453040  0.408325  0.276107  1
  Ni  Ni81  1  0.605355  0.716370  0.302806  1
  Ni  Ni82  1  0.184661  0.877085  0.315153  1
  Ni  Ni83  1  0.340213  0.192448  0.340057  1
  Ni  Ni84  1  0.029600  0.563233  0.289061  1
  Ni  Ni85  1  0.395288  0.796439  0.306167  1
  Ni  Ni86  1  0.550492  0.112130  0.334793  1
  Ni  Ni87  1  0.241064  0.485158  0.282289  1
  Ni  Ni88  1  0.453040  0.908325  0.276107  1
  Ni  Ni89  1  0.605355  0.216370  0.302806  1
  Ni  Ni90  1  0.762262  0.534524  0.327671  1
  Ni  Ni91  1  0.684661  0.877085  0.315153  1
  Ni  Ni92  1  0.840213  0.192448  0.340057  1
  Ni  Ni93  1  0.529600  0.563233  0.289061  1
  Ni  Ni94  1  0.895288  0.796439  0.306167  1
  Ni  Ni95  1  0.050492  0.112130  0.334793  1
  Ni  Ni96  1  0.741064  0.485158  0.282289  1
  Ni  Ni97  1  0.953040  0.908325  0.276107  1
  Ni  Ni98  1  0.105355  0.216370  0.302806  1
  Ni  Ni99  1  0.262262  0.534524  0.327671  1
  Ni  Ni100  1  0.529600  0.063233  0.289061  1
  Ni  Ni101  1  0.684661  0.377085  0.315153  1
  Ni  Ni102  1  0.840213  0.692448  0.340057  1
  Ni  Ni103  1  0.741064  0.985158  0.282289  1
  Ni  Ni104  1  0.895288  0.296439  0.306167  1
  Ni  Ni105  1  0.050492  0.612130  0.334793  1
  Ni  Ni106  1  0.262262  0.034524  0.327671  1
  Ni  Ni107  1  0.953040  0.408325  0.276107  1
  Ni  Ni108  1  0.105355  0.716370  0.302806  1
  Ni  Ni109  1  0.494341  0.006716  0.366467  1
  Ni  Ni110  1  0.648914  0.321873  0.391989  1
  Ni  Ni111  1  0.804075  0.637557  0.417278  1
  Ni  Ni112  1  0.705685  0.927659  0.359743  1
  Ni  Ni113  1  0.860661  0.243722  0.385010  1
  Ni  Ni114  1  0.015167  0.558407  0.411260  1
  Ni  Ni115  1  0.226534  0.979591  0.404497  1
  Ni  Ni116  1  0.916994  0.348571  0.352348  1
  Ni  Ni117  1  0.071679  0.664520  0.379357  1
  Ni  Ni118  1  0.648914  0.821873  0.391989  1
  Ni  Ni119  1  0.804075  0.137557  0.417278  1
  Ni  Ni120  1  0.494341  0.506716  0.366467  1
  Ni  Ni121  1  0.860661  0.743722  0.385010  1
  Ni  Ni122  1  0.015167  0.058407  0.411260  1
  Ni  Ni123  1  0.705685  0.427659  0.359743  1
  Ni  Ni124  1  0.916994  0.848571  0.352348  1
  Ni  Ni125  1  0.071679  0.164520  0.379357  1
  Ni  Ni126  1  0.226534  0.479591  0.404497  1
  Ni  Ni127  1  0.148914  0.821873  0.391989  1
  Ni  Ni128  1  0.304075  0.137557  0.417278  1
  Ni  Ni129  1  0.994341  0.506716  0.366467  1
  Ni  Ni130  1  0.360661  0.743722  0.385010  1
  Ni  Ni131  1  0.515167  0.058407  0.411260  1
  Ni  Ni132  1  0.205685  0.427659  0.359743  1
  Ni  Ni133  1  0.416994  0.848571  0.352348  1
  Ni  Ni134  1  0.571679  0.164520  0.379357  1
  Ni  Ni135  1  0.726534  0.479591  0.404497  1
  Ni  Ni136  1  0.994341  0.006716  0.366467  1
  Ni  Ni137  1  0.148914  0.321873  0.391989  1
  Ni  Ni138  1  0.304075  0.637557  0.417278  1
  Ni  Ni139  1  0.205685  0.927659  0.359743  1
  Ni  Ni140  1  0.360661  0.243722  0.385010  1
  Ni  Ni141  1  0.515167  0.558407  0.411260  1
  Ni  Ni142  1  0.726534  0.979591  0.404497  1
  Ni  Ni143  1  0.416994  0.348571  0.352348  1
  Ni  Ni144  1  0.571679  0.664520  0.379357  1
  Ni  Ni145  1  0.958389  0.952226  0.443018  1
  Ni  Ni146  1  0.113092  0.267648  0.468881  1
  Ni  Ni147  1  0.267836  0.582886  0.494250  1
  Ni  Ni148  1  0.169803  0.873605  0.436723  1
  Ni  Ni149  1  0.324572  0.189039  0.462219  1
  Ni  Ni150  1  0.479003  0.503843  0.488040  1
  Ni  Ni151  1  0.690440  0.925216  0.481503  1
  Ni  Ni152  1  0.381266  0.294955  0.430114  1
  Ni  Ni153  1  0.535726  0.609971  0.456086  1
  Ni  Ni154  1  0.113092  0.767648  0.468881  1
  Ni  Ni155  1  0.267836  0.082886  0.494250  1
  Ni  Ni156  1  0.958389  0.452226  0.443018  1
  Ni  Ni157  1  0.324572  0.689039  0.462219  1
  Ni  Ni158  1  0.479003  1.003843  0.488040  1
  Ni  Ni159  1  0.169803  0.373605  0.436723  1
  Ni  Ni160  1  0.381266  0.794955  0.430114  1
  Ni  Ni161  1  0.535726  0.109971  0.456086  1
  Ni  Ni162  1  0.690440  0.425216  0.481503  1
  Ni  Ni163  1  0.613092  0.767648  0.468881  1
  Ni  Ni164  1  0.767836  0.082886  0.494250  1
  Ni  Ni165  1  0.458389  0.452226  0.443018  1
  Ni  Ni166  1  0.824572  0.689039  0.462219  1
  Ni  Ni167  1  0.979003  1.003843  0.488040  1
  Ni  Ni168  1  0.669803  0.373605  0.436723  1
  Ni  Ni169  1  0.881266  0.794955  0.430114  1
  Ni  Ni170  1  0.035726  0.109971  0.456086  1
  Ni  Ni171  1  0.190440  0.425216  0.481503  1
  Ni  Ni172  1  0.458389  0.952226  0.443018  1
  Ni  Ni173  1  0.613092  0.267648  0.468881  1
  Ni  Ni174  1  0.767836  0.582886  0.494250  1
  Ni  Ni175  1  0.669803  0.873605  0.436723  1
  Ni  Ni176  1  0.824572  0.189039  0.462219  1
  Ni  Ni177  1  0.979003  0.503843  0.488040  1
  Ni  Ni178  1  0.190440  0.925216  0.481503  1
  Ni  Ni179  1  0.881266  0.294955  0.430114  1
  Ni  Ni180  1  0.035726  0.609971  0.456086  1
  Ni  Ni181  1  0.422363  0.897996  0.520133  1
  Ni  Ni182  1  0.576973  0.213216  0.545845  1
  Ni  Ni183  1  0.731786  0.528346  0.571006  1
  Ni  Ni184  1  0.633756  0.819265  0.513697  1
  Ni  Ni185  1  0.788418  0.134542  0.539095  1
  Ni  Ni186  1  0.942976  0.449466  0.565203  1
  Ni  Ni187  1  0.154451  0.870899  0.558500  1
  Ni  Ni188  1  0.845190  0.240606  0.507201  1
  Ni  Ni189  1  0.999532  0.555400  0.532987  1
  Ni  Ni190  1  0.576973  0.713216  0.545845  1
  Ni  Ni191  1  0.731786  0.028346  0.571006  1
  Ni  Ni192  1  0.422363  0.397996  0.520133  1
  Ni  Ni193  1  0.788418  0.634542  0.539095  1
  Ni  Ni194  1  0.942976  0.949466  0.565203  1
  Ni  Ni195  1  0.633756  0.319265  0.513697  1
  Ni  Ni196  1  0.845190  0.740606  0.507201  1
  Ni  Ni197  1  0.999532  0.055400  0.532987  1
  Ni  Ni198  1  0.154451  0.370899  0.558500  1
  Ni  Ni199  1  0.076973  0.713216  0.545845  1
  Ni  Ni200  1  0.231786  0.028346  0.571006  1
  Ni  Ni201  1  0.922363  0.397996  0.520133  1
  Ni  Ni202  1  0.288418  0.634542  0.539095  1
  Ni  Ni203  1  0.442976  0.949466  0.565203  1
  Ni  Ni204  1  0.133756  0.319265  0.513697  1
  Ni  Ni205  1  0.345190  0.740606  0.507201  1
  Ni  Ni206  1  0.499532  0.055400  0.532987  1
  Ni  Ni207  1  0.654451  0.370899  0.558500  1
  Ni  Ni208  1  0.922363  0.897996  0.520133  1
  Ni  Ni209  1  0.076973  0.213216  0.545845  1
  Ni  Ni210  1  0.231786  0.528346  0.571006  1
  Ni  Ni211  1  0.133756  0.819265  0.513697  1
  Ni  Ni212  1  0.288418  0.134542  0.539095  1
  Ni  Ni213  1  0.442976  0.449466  0.565203  1
  Ni  Ni214  1  0.654451  0.870899  0.558500  1
  Ni  Ni215  1  0.345190  0.240606  0.507201  1
  Ni  Ni216  1  0.499532  0.555400  0.532987  1
  Ni  Ni217  1  0.886384  0.844003  0.597398  1
  Ni  Ni218  1  0.040572  0.157976  0.622817  1
  Ni  Ni219  1  0.196654  0.474888  0.647857  1
  Ni  Ni220  1  0.097574  0.764807  0.590708  1
  Ni  Ni221  1  0.252374  0.079949  0.615565  1
  Ni  Ni222  1  0.407486  0.395912  0.642963  1
  Ni  Ni223  1  0.618610  0.816546  0.635331  1
  Ni  Ni224  1  0.309117  0.186196  0.583987  1
  Ni  Ni225  1  0.463374  0.500871  0.610334  1
  Ni  Ni226  1  0.040572  0.657976  0.622817  1
  Ni  Ni227  1  0.196654  0.974888  0.647857  1
  Ni  Ni228  1  0.886384  0.344003  0.597398  1
  Ni  Ni229  1  0.252374  0.579949  0.615565  1
  Ni  Ni230  1  0.407486  0.895912  0.642963  1
  Ni  Ni231  1  0.097574  0.264807  0.590708  1
  Ni  Ni232  1  0.309117  0.686196  0.583987  1
  Ni  Ni233  1  0.463374  1.000871  0.610334  1
  Ni  Ni234  1  0.618610  0.316546  0.635331  1
  Ni  Ni235  1  0.540572  0.657976  0.622817  1
  Ni  Ni236  1  0.696654  0.974888  0.647857  1
  Ni  Ni237  1  0.386384  0.344003  0.597398  1
  Ni  Ni238  1  0.752374  0.579949  0.615565  1
  Ni  Ni239  1  0.907486  0.895912  0.642963  1
  Ni  Ni240  1  0.597574  0.264807  0.590708  1
  Ni  Ni241  1  0.809117  0.686196  0.583987  1
  Ni  Ni242  1  0.963374  1.000871  0.610334  1
  Ni  Ni243  1  0.118610  0.316546  0.635331  1
  Ni  Ni244  1  0.386384  0.844003  0.597398  1
  Ni  Ni245  1  0.540572  0.157976  0.622817  1
  Ni  Ni246  1  0.696654  0.474888  0.647857  1
  Ni  Ni247  1  0.597574  0.764807  0.590708  1
  Ni  Ni248  1  0.752374  0.079949  0.615565  1
  Ni  Ni249  1  0.907486  0.395912  0.642963  1
  Ni  Ni250  1  0.118610  0.816546  0.635331  1
  Ni  Ni251  1  0.809117  0.186196  0.583987  1
  Ni  Ni252  1  0.963374  0.500871  0.610334  1
  Ni  Ni253  1  0.350783  0.788683  0.673861  1
  Ni  Ni254  1  0.505770  0.103167  0.701332  1
  Ni  Ni255  1  0.662648  0.419247  0.723915  1
  Ni  Ni256  1  0.561691  0.709194  0.667449  1
  Ni  Ni257  1  0.718586  0.027906  0.692499  1
  Ni  Ni258  1  0.870855  0.335170  0.719762  1
  Ni  Ni259  1  0.083648  0.759943  0.712255  1
  Ni  Ni260  1  0.773838  0.131692  0.660135  1
  Ni  Ni261  1  0.928258  0.446848  0.689151  1
  Ni  Ni262  1  0.505770  0.603167  0.701332  1
  Ni  Ni263  1  0.662648  0.919247  0.723915  1
  Ni  Ni264  1  0.350783  0.288683  0.673861  1
  Ni  Ni265  1  0.718586  0.527906  0.692499  1
  Ni  Ni266  1  0.870855  0.835170  0.719762  1
  Ni  Ni267  1  0.561691  0.209194  0.667449  1
  Ni  Ni268  1  0.773838  0.631692  0.660135  1
  Ni  Ni269  1  0.928258  0.946848  0.689151  1
  Ni  Ni270  1  0.083648  0.259943  0.712255  1
  Ni  Ni271  1  0.005770  0.603167  0.701332  1
  Ni  Ni272  1  0.162648  0.919247  0.723915  1
  Ni  Ni273  1  0.850783  0.288683  0.673861  1
  Ni  Ni274  1  0.218586  0.527906  0.692499  1
  Ni  Ni275  1  0.370855  0.835170  0.719762  1
  Ni  Ni276  1  0.061691  0.209194  0.667449  1
  Ni  Ni277  1  0.273838  0.631692  0.660135  1
  Ni  Ni278  1  0.428258  0.946848  0.689151  1
  Ni  Ni279  1  0.583648  0.259943  0.712255  1
  Ni  Ni280  1  0.850783  0.788683  0.673861  1
  Ni  Ni281  1  0.005770  0.103167  0.701332  1
  Ni  Ni282  1  0.162648  0.419247  0.723915  1
  Ni  Ni283  1  0.061691  0.709194  0.667449  1
  Ni  Ni284  1  0.218586  0.027906  0.692499  1
  Ni  Ni285  1  0.370855  0.335170  0.719762  1
  Ni  Ni286  1  0.583648  0.759943  0.712255  1
  Ni  Ni287  1  0.273838  0.131692  0.660135  1
  Ni  Ni288  1  0.428258  0.446848  0.689151  1
