# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.02761095
_cell_length_b   12.78594227
_cell_length_c   45.71517552
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.09346927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al54 Ni162'
_cell_volume   5391.57030868
_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  0.765309  0.274422  0.303962  1
  Al  Al2  1  0.265816  0.275628  0.303988  1
  Al  Al3  1  0.197795  0.638713  0.288018  1
  Al  Al4  1  0.335935  0.914843  0.324201  1
  Al  Al5  1  0.697117  0.638568  0.288010  1
  Al  Al6  1  0.131198  1.002344  0.273933  1
  Al  Al7  1  0.471107  0.185527  0.357339  1
  Al  Al8  1  0.970826  0.185664  0.357406  1
  Al  Al9  1  0.902915  0.549297  0.341453  1
  Al  Al10  1  0.038909  0.821583  0.374060  1
  Al  Al11  1  0.402698  0.549473  0.341456  1
  Al  Al12  1  0.833930  0.912098  0.325759  1
  Al  Al13  1  0.175772  0.094966  0.407297  1
  Al  Al14  1  0.675474  0.094981  0.407263  1
  Al  Al15  1  0.606970  0.457587  0.390310  1
  Al  Al16  1  0.743422  0.730572  0.424257  1
  Al  Al17  1  0.106863  0.457544  0.390220  1
  Al  Al18  1  0.538948  0.821653  0.374066  1
  Al  Al19  1  0.879802  0.003297  0.457517  1
  Al  Al20  1  0.379772  0.003270  0.457440  1
  Al  Al21  1  0.311497  0.366758  0.440633  1
  Al  Al22  1  0.447836  0.639424  0.474132  1
  Al  Al23  1  0.811546  0.366756  0.440607  1
  Al  Al24  1  0.243628  0.730948  0.424088  1
  Al  Al25  1  0.584174  0.912094  0.507570  1
  Al  Al26  1  0.084236  0.912111  0.507561  1
  Al  Al27  1  0.016059  0.275785  0.490729  1
  Al  Al28  1  0.152400  0.548449  0.524168  1
  Al  Al29  1  0.516013  0.275756  0.490745  1
  Al  Al30  1  0.947901  0.639464  0.474106  1
  Al  Al31  1  0.288750  0.821124  0.557678  1
  Al  Al32  1  0.788688  0.821107  0.557687  1
  Al  Al33  1  0.720441  0.184576  0.540783  1
  Al  Al34  1  0.856820  0.457300  0.574046  1
  Al  Al35  1  0.220466  0.184603  0.540865  1
  Al  Al36  1  0.652337  0.548409  0.524200  1
  Al  Al37  1  0.993360  0.730285  0.607994  1
  Al  Al38  1  0.493281  0.730329  0.608081  1
  Al  Al39  1  0.424455  0.092885  0.591038  1
  Al  Al40  1  0.561267  0.366214  0.624242  1
  Al  Al41  1  0.924774  0.092913  0.591007  1
  Al  Al42  1  0.356631  0.456926  0.574215  1
  Al  Al43  1  0.697212  0.638395  0.656851  1
  Al  Al44  1  0.197609  0.638580  0.656844  1
  Al  Al45  1  0.129564  1.002346  0.640965  1
  Al  Al46  1  0.265081  0.273029  0.674101  1
  Al  Al47  1  0.629140  1.002208  0.640895  1
  Al  Al48  1  0.061304  0.366296  0.624236  1
  Al  Al49  1  0.403086  0.549164  0.710284  1
  Al  Al50  1  0.902555  0.549303  0.710293  1
  Al  Al51  1  0.834191  0.912246  0.694316  1
  Al  Al52  1  0.972842  0.185535  0.724368  1
  Al  Al53  1  0.334889  0.913450  0.694339  1
  Al  Al54  1  0.765822  0.275775  0.672543  1
  Ni  Ni55  1  0.516826  0.277400  0.307966  1
  Ni  Ni56  1  0.015998  0.275389  0.307328  1
  Ni  Ni57  1  0.948988  0.641171  0.292002  1
  Ni  Ni58  1  0.083169  0.912336  0.324616  1
  Ni  Ni59  1  0.448880  0.642102  0.292039  1
  Ni  Ni60  1  0.876248  1.000430  0.277586  1
  Ni  Ni61  1  0.549937  0.092217  0.314804  1
  Ni  Ni62  1  0.050632  0.094176  0.316018  1
  Ni  Ni63  1  0.983054  0.459084  0.300032  1
  Ni  Ni64  1  0.418602  0.825195  0.284738  1
  Ni  Ni65  1  0.483145  0.459774  0.300082  1
  Ni  Ni66  1  0.913885  0.822045  0.284153  1
  Ni  Ni67  1  0.301284  0.094153  0.315415  1
  Ni  Ni68  1  0.797814  0.093171  0.315537  1
  Ni  Ni69  1  0.732626  0.459243  0.300073  1
  Ni  Ni70  1  0.162441  0.821479  0.284760  1
  Ni  Ni71  1  0.232500  0.459604  0.300037  1
  Ni  Ni72  1  0.663867  0.824344  0.284698  1
  Ni  Ni73  1  0.222248  0.186947  0.356481  1
  Ni  Ni74  1  0.720614  0.186578  0.356318  1
  Ni  Ni75  1  0.653026  0.549676  0.340297  1
  Ni  Ni76  1  0.788783  0.821348  0.374476  1
  Ni  Ni77  1  0.153018  0.549874  0.340238  1
  Ni  Ni78  1  0.586136  0.913661  0.324279  1
  Ni  Ni79  1  0.255153  0.004735  0.365696  1
  Ni  Ni80  1  0.755142  0.004969  0.365995  1
  Ni  Ni81  1  0.687368  0.366619  0.348394  1
  Ni  Ni82  1  0.119216  0.729751  0.332420  1
  Ni  Ni83  1  0.186906  0.366510  0.348278  1
  Ni  Ni84  1  0.618798  0.729447  0.332371  1
  Ni  Ni85  1  0.006048  0.004854  0.365984  1
  Ni  Ni86  1  0.505975  0.004923  0.365678  1
  Ni  Ni87  1  0.435767  0.366830  0.348433  1
  Ni  Ni88  1  0.866865  0.729544  0.332276  1
  Ni  Ni89  1  0.935571  0.366267  0.348228  1
  Ni  Ni90  1  0.367022  0.729937  0.332341  1
  Ni  Ni91  1  0.925461  0.094603  0.407545  1
  Ni  Ni92  1  0.425368  0.094486  0.407406  1
  Ni  Ni93  1  0.356671  0.457344  0.390603  1
  Ni  Ni94  1  0.493482  0.730657  0.424133  1
  Ni  Ni95  1  0.856930  0.457328  0.390585  1
  Ni  Ni96  1  0.289471  0.822552  0.373885  1
  Ni  Ni97  1  0.959647  0.912694  0.415853  1
  Ni  Ni98  1  0.459573  0.912749  0.415700  1
  Ni  Ni99  1  0.391151  0.276128  0.398756  1
  Ni  Ni100  1  0.822770  0.639821  0.382474  1
  Ni  Ni101  1  0.890814  0.276024  0.398686  1
  Ni  Ni102  1  0.322710  0.640130  0.382444  1
  Ni  Ni103  1  0.709334  0.912705  0.415859  1
  Ni  Ni104  1  0.209431  0.912710  0.415700  1
  Ni  Ni105  1  0.141396  0.276072  0.398727  1
  Ni  Ni106  1  0.573280  0.639771  0.382505  1
  Ni  Ni107  1  0.641333  0.276094  0.398728  1
  Ni  Ni108  1  0.073646  0.640101  0.382463  1
  Ni  Ni109  1  0.629799  0.003412  0.457427  1
  Ni  Ni110  1  0.129903  0.003405  0.457436  1
  Ni  Ni111  1  0.061516  0.366780  0.440503  1
  Ni  Ni112  1  0.197934  0.639554  0.474099  1
  Ni  Ni113  1  0.561551  0.366789  0.440556  1
  Ni  Ni114  1  0.993450  0.730665  0.424124  1
  Ni  Ni115  1  0.663816  0.821439  0.465882  1
  Ni  Ni116  1  0.163864  0.821490  0.465813  1
  Ni  Ni117  1  0.095800  0.185191  0.449055  1
  Ni  Ni118  1  0.527439  0.548472  0.432343  1
  Ni  Ni119  1  0.595692  0.185175  0.449025  1
  Ni  Ni120  1  0.027604  0.548598  0.432293  1
  Ni  Ni121  1  0.413926  0.821487  0.465821  1
  Ni  Ni122  1  0.913917  0.821452  0.465873  1
  Ni  Ni123  1  0.845688  0.185186  0.449033  1
  Ni  Ni124  1  0.277271  0.548591  0.432296  1
  Ni  Ni125  1  0.345767  0.185183  0.449043  1
  Ni  Ni126  1  0.777337  0.548498  0.432325  1
  Ni  Ni127  1  0.334195  0.912103  0.507535  1
  Ni  Ni128  1  0.834209  0.912092  0.507569  1
  Ni  Ni129  1  0.766028  0.275778  0.490727  1
  Ni  Ni130  1  0.902393  0.548457  0.524132  1
  Ni  Ni131  1  0.266048  0.275773  0.490773  1
  Ni  Ni132  1  0.697849  0.639416  0.474172  1
  Ni  Ni133  1  0.368353  0.730312  0.515919  1
  Ni  Ni134  1  0.868345  0.730323  0.515920  1
  Ni  Ni135  1  0.800120  0.093939  0.499147  1
  Ni  Ni136  1  0.231881  0.457566  0.482381  1
  Ni  Ni137  1  0.300121  0.093935  0.499155  1
  Ni  Ni138  1  0.731901  0.457552  0.482381  1
  Ni  Ni139  1  0.118324  0.730345  0.515896  1
  Ni  Ni140  1  0.618224  0.730282  0.515947  1
  Ni  Ni141  1  0.550069  0.093921  0.499137  1
  Ni  Ni142  1  0.982003  0.457589  0.482355  1
  Ni  Ni143  1  0.050170  0.093950  0.499166  1
  Ni  Ni144  1  0.481922  0.457522  0.482411  1
  Ni  Ni145  1  0.038728  0.821081  0.557749  1
  Ni  Ni146  1  0.538679  0.821096  0.557798  1
  Ni  Ni147  1  0.470331  0.184447  0.540876  1
  Ni  Ni148  1  0.606778  0.457199  0.574183  1
  Ni  Ni149  1  0.970451  0.184481  0.540865  1
  Ni  Ni150  1  0.402308  0.548319  0.524202  1
  Ni  Ni151  1  0.072809  0.639385  0.565966  1
  Ni  Ni152  1  0.572624  0.639272  0.566017  1
  Ni  Ni153  1  0.504439  1.002687  0.549259  1
  Ni  Ni154  1  0.936419  0.366435  0.532418  1
  Ni  Ni155  1  1.004551  1.002689  0.549270  1
  Ni  Ni156  1  0.436379  0.366371  0.532494  1
  Ni  Ni157  1  0.822926  0.639390  0.565972  1
  Ni  Ni158  1  0.322961  0.639286  0.565997  1
  Ni  Ni159  1  0.254485  1.002695  0.549271  1
  Ni  Ni160  1  0.686322  0.366418  0.532430  1
  Ni  Ni161  1  0.754547  1.002685  0.549255  1
  Ni  Ni162  1  0.186322  0.366398  0.532479  1
  Ni  Ni163  1  0.743293  0.730522  0.607708  1
  Ni  Ni164  1  0.243575  0.730551  0.607708  1
  Ni  Ni165  1  0.174855  0.093386  0.590897  1
  Ni  Ni166  1  0.310893  0.365321  0.624418  1
  Ni  Ni167  1  0.674816  0.093271  0.590756  1
  Ni  Ni168  1  0.106752  0.457224  0.574165  1
  Ni  Ni169  1  0.777485  0.548096  0.615804  1
  Ni  Ni170  1  0.277516  0.547777  0.615834  1
  Ni  Ni171  1  0.209212  0.911777  0.599570  1
  Ni  Ni172  1  0.640588  0.275160  0.582447  1
  Ni  Ni173  1  0.709285  0.911801  0.599579  1
  Ni  Ni174  1  0.140686  0.275170  0.582599  1
  Ni  Ni175  1  0.526547  0.547738  0.615864  1
  Ni  Ni176  1  0.026931  0.548057  0.615823  1
  Ni  Ni177  1  0.958996  0.911745  0.599552  1
  Ni  Ni178  1  0.390785  0.275118  0.582608  1
  Ni  Ni179  1  0.458753  0.911850  0.599610  1
  Ni  Ni180  1  0.890917  0.275185  0.582444  1
  Ni  Ni181  1  0.447131  0.638000  0.658063  1
  Ni  Ni182  1  0.947339  0.638195  0.658006  1
  Ni  Ni183  1  0.879283  1.000927  0.641823  1
  Ni  Ni184  1  0.014825  0.275542  0.673684  1
  Ni  Ni185  1  0.378016  1.001293  0.641982  1
  Ni  Ni186  1  0.811410  0.366524  0.623827  1
  Ni  Ni187  1  0.481069  0.457934  0.665965  1
  Ni  Ni188  1  0.981312  0.458331  0.666023  1
  Ni  Ni189  1  0.912922  0.821042  0.649873  1
  Ni  Ni190  1  0.345031  0.182947  0.632626  1
  Ni  Ni191  1  0.413286  0.821608  0.650071  1
  Ni  Ni192  1  0.845171  0.183022  0.632317  1
  Ni  Ni193  1  0.233452  0.458126  0.665879  1
  Ni  Ni194  1  0.733337  0.458421  0.665936  1
  Ni  Ni195  1  0.664377  0.821361  0.650027  1
  Ni  Ni196  1  0.094399  0.183140  0.632606  1
  Ni  Ni197  1  0.164735  0.821254  0.649906  1
  Ni  Ni198  1  0.594149  0.182901  0.632308  1
  Ni  Ni199  1  0.151824  0.546706  0.706296  1
  Ni  Ni200  1  0.650782  0.545767  0.706267  1
  Ni  Ni201  1  0.584611  0.912484  0.690974  1
  Ni  Ni202  1  0.719807  0.187440  0.720716  1
  Ni  Ni203  1  0.083432  0.910474  0.690337  1
  Ni  Ni204  1  0.516462  0.274207  0.674027  1
  Ni  Ni205  1  0.184961  0.366402  0.713539  1
  Ni  Ni206  1  0.683517  0.363519  0.713607  1
  Ni  Ni207  1  0.616904  0.728268  0.698267  1
  Ni  Ni208  1  0.051124  0.093721  0.682888  1
  Ni  Ni209  1  0.117392  0.728630  0.698227  1
  Ni  Ni210  1  0.548634  0.094698  0.682764  1
  Ni  Ni211  1  0.935841  0.365831  0.714147  1
  Ni  Ni212  1  0.437399  0.362677  0.713567  1
  Ni  Ni213  1  0.367978  0.728791  0.698268  1
  Ni  Ni214  1  0.800448  0.093699  0.682283  1
  Ni  Ni215  1  0.867381  0.728099  0.698224  1
  Ni  Ni216  1  0.301712  0.095654  0.683500  1
