# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99247161
_cell_length_b   20.54747050
_cell_length_c   56.34564017
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al60 Ni180'
_cell_volume   5780.08581961
_cell_formula_units_Z   60
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  0.555084  0.652945  0.250856  1
  Al  Al2  1  0.555084  0.271855  0.296910  1
  Al  Al3  1  0.555084  0.048110  0.232026  1
  Al  Al4  1  1.055084  0.771855  0.296910  1
  Al  Al5  1  1.055084  0.548110  0.232026  1
  Al  Al6  1  1.055084  0.152945  0.250856  1
  Al  Al7  1  1.055084  0.576519  0.307337  1
  Al  Al8  1  1.055084  0.351754  0.241755  1
  Al  Al9  1  1.055084  0.958610  0.261616  1
  Al  Al10  1  0.555084  0.851754  0.241755  1
  Al  Al11  1  0.555084  0.458610  0.261616  1
  Al  Al12  1  0.555084  0.076519  0.307337  1
  Al  Al13  1  0.555084  0.488352  0.337380  1
  Al  Al14  1  0.555084  0.105917  0.383285  1
  Al  Al15  1  0.555084  0.880101  0.317227  1
  Al  Al16  1  1.055084  0.605917  0.383285  1
  Al  Al17  1  1.055084  0.380101  0.317227  1
  Al  Al18  1  1.055084  -0.011648  0.337380  1
  Al  Al19  1  1.055084  0.409675  0.393166  1
  Al  Al20  1  1.055084  0.184143  0.327068  1
  Al  Al21  1  1.055084  0.801579  0.373112  1
  Al  Al22  1  0.555084  0.684143  0.327068  1
  Al  Al23  1  0.555084  0.301579  0.373112  1
  Al  Al24  1  0.555084  0.909675  0.393166  1
  Al  Al25  1  0.555084  0.331072  0.449119  1
  Al  Al26  1  0.555084  0.939180  0.469133  1
  Al  Al27  1  0.555084  0.713555  0.403057  1
  Al  Al28  1  1.055084  0.439180  0.469133  1
  Al  Al29  1  1.055084  0.213555  0.403057  1
  Al  Al30  1  1.055084  0.831072  0.449119  1
  Al  Al31  1  1.055084  0.243015  0.479037  1
  Al  Al32  1  1.055084  0.017826  0.413208  1
  Al  Al33  1  1.055084  0.635365  0.459242  1
  Al  Al34  1  0.555084  0.517826  0.413208  1
  Al  Al35  1  0.555084  0.135365  0.459242  1
  Al  Al36  1  0.555084  0.743015  0.479037  1
  Al  Al37  1  0.555084  0.164834  0.535219  1
  Al  Al38  1  0.555084  0.772458  0.555032  1
  Al  Al39  1  0.555084  0.547292  0.489143  1
  Al  Al40  1  1.055084  0.272458  0.555032  1
  Al  Al41  1  1.055084  0.047292  0.489143  1
  Al  Al42  1  1.055084  0.664834  0.535219  1
  Al  Al43  1  1.055084  0.076774  0.565133  1
  Al  Al44  1  1.055084  0.860541  0.525059  1
  Al  Al45  1  1.055084  0.468666  0.545112  1
  Al  Al46  1  0.555084  0.360541  0.525059  1
  Al  Al47  1  0.555084  0.968666  0.545112  1
  Al  Al48  1  0.555084  0.576774  0.565133  1
  Al  Al49  1  0.555084  -0.001859  0.621205  1
  Al  Al50  1  0.555084  0.606369  0.640779  1
  Al  Al51  1  0.555084  0.389832  0.600911  1
  Al  Al52  1  1.055084  0.106369  0.640779  1
  Al  Al53  1  1.055084  0.889832  0.600911  1
  Al  Al54  1  1.055084  0.498141  0.621205  1
  Al  Al55  1  1.055084  0.919099  0.676007  1
  Al  Al56  1  1.055084  0.694325  0.611338  1
  Al  Al57  1  1.055084  0.302264  0.630835  1
  Al  Al58  1  0.555084  0.194325  0.611338  1
  Al  Al59  1  0.555084  0.802264  0.630835  1
  Al  Al60  1  0.555084  0.419099  0.676007  1
  Ni  Ni61  1  0.305087  0.561151  0.269360  1
  Ni  Ni62  1  0.304143  0.169437  0.289450  1
  Ni  Ni63  1  0.306142  0.944399  0.223535  1
  Ni  Ni64  1  1.055084  0.655298  0.251520  1
  Ni  Ni65  1  1.055084  0.272593  0.296581  1
  Ni  Ni66  1  1.055084  0.047204  0.230864  1
  Ni  Ni67  1  0.305646  0.473588  0.299881  1
  Ni  Ni68  1  0.303715  0.256958  0.258302  1
  Ni  Ni69  1  0.304332  0.865416  0.279396  1
  Ni  Ni70  1  0.804143  0.669437  0.289450  1
  Ni  Ni71  1  0.806142  0.444399  0.223535  1
  Ni  Ni72  1  0.805087  0.061151  0.269360  1
  Ni  Ni73  1  0.555084  0.772593  0.296581  1
  Ni  Ni74  1  0.555084  0.547204  0.230864  1
  Ni  Ni75  1  0.555084  0.155298  0.251520  1
  Ni  Ni76  1  0.803715  0.756958  0.258302  1
  Ni  Ni77  1  0.804332  0.365416  0.279396  1
  Ni  Ni78  1  0.805646  0.973588  0.299881  1
  Ni  Ni79  1  0.804523  0.473588  0.299881  1
  Ni  Ni80  1  0.806454  0.256958  0.258302  1
  Ni  Ni81  1  0.805836  0.865416  0.279396  1
  Ni  Ni82  1  0.555084  0.576499  0.307049  1
  Ni  Ni83  1  0.555084  0.350008  0.241096  1
  Ni  Ni84  1  0.555084  0.958532  0.262299  1
  Ni  Ni85  1  0.805081  0.561151  0.269360  1
  Ni  Ni86  1  0.806025  0.169437  0.289450  1
  Ni  Ni87  1  0.804027  0.944399  0.223535  1
  Ni  Ni88  1  0.306454  0.756958  0.258302  1
  Ni  Ni89  1  0.305836  0.365416  0.279396  1
  Ni  Ni90  1  0.304523  0.973588  0.299881  1
  Ni  Ni91  1  1.055084  0.850008  0.241096  1
  Ni  Ni92  1  1.055084  0.458532  0.262299  1
  Ni  Ni93  1  1.055084  0.076499  0.307049  1
  Ni  Ni94  1  0.306025  0.669437  0.289450  1
  Ni  Ni95  1  0.304027  0.444399  0.223535  1
  Ni  Ni96  1  0.305081  0.061151  0.269360  1
  Ni  Ni97  1  0.305072  0.394903  0.355197  1
  Ni  Ni98  1  0.304874  0.003149  0.375616  1
  Ni  Ni99  1  0.304825  0.786722  0.334720  1
  Ni  Ni100  1  1.055084  0.487868  0.337814  1
  Ni  Ni101  1  1.055084  0.105938  0.382896  1
  Ni  Ni102  1  1.055084  0.880018  0.317274  1
  Ni  Ni103  1  0.305297  0.316272  0.410774  1
  Ni  Ni104  1  0.305699  0.091068  0.345017  1
  Ni  Ni105  1  0.305595  0.698980  0.365371  1
  Ni  Ni106  1  0.804874  0.503149  0.375616  1
  Ni  Ni107  1  0.804825  0.286722  0.334720  1
  Ni  Ni108  1  0.805072  0.894903  0.355197  1
  Ni  Ni109  1  0.555084  0.605938  0.382896  1
  Ni  Ni110  1  0.555084  0.380018  0.317274  1
  Ni  Ni111  1  0.555084  -0.012132  0.337814  1
  Ni  Ni112  1  0.805699  0.591068  0.345017  1
  Ni  Ni113  1  0.805595  0.198980  0.365371  1
  Ni  Ni114  1  0.805297  0.816272  0.410774  1
  Ni  Ni115  1  0.804871  0.316272  0.410774  1
  Ni  Ni116  1  0.804470  0.091068  0.345017  1
  Ni  Ni117  1  0.804573  0.698980  0.365371  1
  Ni  Ni118  1  0.555084  0.409680  0.393170  1
  Ni  Ni119  1  0.555084  0.184094  0.327455  1
  Ni  Ni120  1  0.555084  0.802085  0.372651  1
  Ni  Ni121  1  0.805097  0.394903  0.355197  1
  Ni  Ni122  1  0.805295  0.003149  0.375616  1
  Ni  Ni123  1  0.805343  0.786722  0.334720  1
  Ni  Ni124  1  0.304470  0.591068  0.345017  1
  Ni  Ni125  1  0.304573  0.198980  0.365371  1
  Ni  Ni126  1  0.304871  0.816272  0.410774  1
  Ni  Ni127  1  1.055084  0.684094  0.327455  1
  Ni  Ni128  1  1.055084  0.302085  0.372651  1
  Ni  Ni129  1  1.055084  0.909680  0.393170  1
  Ni  Ni130  1  0.305295  0.503149  0.375616  1
  Ni  Ni131  1  0.305343  0.286722  0.334720  1
  Ni  Ni132  1  0.305097  0.894903  0.355197  1
  Ni  Ni133  1  0.304560  0.228430  0.441359  1
  Ni  Ni134  1  0.304870  0.845753  0.486750  1
  Ni  Ni135  1  0.304547  0.620492  0.420950  1
  Ni  Ni136  1  1.055084  0.331599  0.448656  1
  Ni  Ni137  1  1.055084  0.939179  0.469134  1
  Ni  Ni138  1  1.055084  0.713535  0.403447  1
  Ni  Ni139  1  0.305599  0.149954  0.496919  1
  Ni  Ni140  1  0.305056  0.924431  0.431149  1
  Ni  Ni141  1  0.305307  0.532610  0.451518  1
  Ni  Ni142  1  0.804870  0.345753  0.486750  1
  Ni  Ni143  1  0.804547  0.120492  0.420950  1
  Ni  Ni144  1  0.804560  0.728430  0.441359  1
  Ni  Ni145  1  0.555084  0.439179  0.469134  1
  Ni  Ni146  1  0.555084  0.213535  0.403447  1
  Ni  Ni147  1  0.555084  0.831599  0.448656  1
  Ni  Ni148  1  0.805056  0.424431  0.431149  1
  Ni  Ni149  1  0.805307  0.032610  0.451518  1
  Ni  Ni150  1  0.805599  0.649954  0.496919  1
  Ni  Ni151  1  0.804570  0.149954  0.496919  1
  Ni  Ni152  1  0.805113  0.924431  0.431149  1
  Ni  Ni153  1  0.804861  0.532610  0.451518  1
  Ni  Ni154  1  0.555084  0.242993  0.479431  1
  Ni  Ni155  1  0.555084  0.017296  0.413669  1
  Ni  Ni156  1  0.555084  0.635385  0.458850  1
  Ni  Ni157  1  0.805609  0.228430  0.441359  1
  Ni  Ni158  1  0.805299  0.845753  0.486750  1
  Ni  Ni159  1  0.805621  0.620492  0.420950  1
  Ni  Ni160  1  0.305113  0.424431  0.431149  1
  Ni  Ni161  1  0.304861  0.032610  0.451518  1
  Ni  Ni162  1  0.304570  0.649954  0.496919  1
  Ni  Ni163  1  1.055084  0.517296  0.413669  1
  Ni  Ni164  1  1.055084  0.135385  0.458850  1
  Ni  Ni165  1  1.055084  0.742993  0.479431  1
  Ni  Ni166  1  0.305299  0.345753  0.486750  1
  Ni  Ni167  1  0.305621  0.120492  0.420950  1
  Ni  Ni168  1  0.305609  0.728430  0.441359  1
  Ni  Ni169  1  0.304840  0.062090  0.527473  1
  Ni  Ni170  1  0.304361  0.679431  0.572921  1
  Ni  Ni171  1  0.305098  0.453928  0.507118  1
  Ni  Ni172  1  1.055084  0.164851  0.534840  1
  Ni  Ni173  1  1.055084  0.772445  0.555394  1
  Ni  Ni174  1  1.055084  0.546769  0.489605  1
  Ni  Ni175  1  0.305179  0.983437  0.583093  1
  Ni  Ni176  1  0.305642  0.757886  0.517337  1
  Ni  Ni177  1  0.305406  0.375201  0.562643  1
  Ni  Ni178  1  0.804361  0.179431  0.572921  1
  Ni  Ni179  1  0.805098  0.953928  0.507118  1
  Ni  Ni180  1  0.804840  0.562090  0.527473  1
  Ni  Ni181  1  0.555084  0.272445  0.555394  1
  Ni  Ni182  1  0.555084  0.046769  0.489605  1
  Ni  Ni183  1  0.555084  0.664851  0.534840  1
  Ni  Ni184  1  0.805642  0.257886  0.517337  1
  Ni  Ni185  1  0.805406  0.875201  0.562643  1
  Ni  Ni186  1  0.805179  0.483437  0.583093  1
  Ni  Ni187  1  0.804990  0.983437  0.583093  1
  Ni  Ni188  1  0.804526  0.757886  0.517337  1
  Ni  Ni189  1  0.804763  0.375201  0.562643  1
  Ni  Ni190  1  0.555084  0.076255  0.565555  1
  Ni  Ni191  1  0.555084  0.861059  0.524602  1
  Ni  Ni192  1  0.555084  0.468695  0.545100  1
  Ni  Ni193  1  0.805329  0.062090  0.527473  1
  Ni  Ni194  1  0.805808  0.679431  0.572921  1
  Ni  Ni195  1  0.805070  0.453928  0.507118  1
  Ni  Ni196  1  0.304526  0.257886  0.517337  1
  Ni  Ni197  1  0.304763  0.875201  0.562643  1
  Ni  Ni198  1  0.304990  0.483437  0.583093  1
  Ni  Ni199  1  1.055084  0.361059  0.524602  1
  Ni  Ni200  1  1.055084  0.968695  0.545100  1
  Ni  Ni201  1  1.055084  0.576255  0.565555  1
  Ni  Ni202  1  0.305808  0.179431  0.572921  1
  Ni  Ni203  1  0.305070  0.953928  0.507118  1
  Ni  Ni204  1  0.305329  0.562090  0.527473  1
  Ni  Ni205  1  0.304862  0.904676  0.638133  1
  Ni  Ni206  1  0.306410  0.514443  0.659419  1
  Ni  Ni207  1  0.304743  0.287351  0.593302  1
  Ni  Ni208  1  1.055084  -0.002035  0.620948  1
  Ni  Ni209  1  1.055084  0.605979  0.641594  1
  Ni  Ni210  1  1.055084  0.390592  0.600351  1
  Ni  Ni211  1  0.306062  0.815521  0.669370  1
  Ni  Ni212  1  0.305023  0.591575  0.603418  1
  Ni  Ni213  1  0.304032  0.208167  0.649629  1
  Ni  Ni214  1  0.806410  0.014443  0.659419  1
  Ni  Ni215  1  0.804743  0.787351  0.593302  1
  Ni  Ni216  1  0.804862  0.404676  0.638133  1
  Ni  Ni217  1  0.555084  0.105979  0.641594  1
  Ni  Ni218  1  0.555084  0.890592  0.600351  1
  Ni  Ni219  1  0.555084  0.497965  0.620948  1
  Ni  Ni220  1  0.805023  0.091575  0.603418  1
  Ni  Ni221  1  0.804032  0.708167  0.649629  1
  Ni  Ni222  1  0.806062  0.315521  0.669370  1
  Ni  Ni223  1  0.804107  0.815521  0.669370  1
  Ni  Ni224  1  0.805146  0.591575  0.603418  1
  Ni  Ni225  1  0.806137  0.208167  0.649629  1
  Ni  Ni226  1  0.555084  0.919650  0.675475  1
  Ni  Ni227  1  0.555084  0.694672  0.610744  1
  Ni  Ni228  1  0.555084  0.301586  0.631287  1
  Ni  Ni229  1  0.805306  0.904676  0.638133  1
  Ni  Ni230  1  0.803758  0.514443  0.659419  1
  Ni  Ni231  1  0.805425  0.287351  0.593302  1
  Ni  Ni232  1  0.305146  0.091575  0.603418  1
  Ni  Ni233  1  0.306137  0.708167  0.649629  1
  Ni  Ni234  1  0.304107  0.315521  0.669370  1
  Ni  Ni235  1  1.055084  0.194672  0.610744  1
  Ni  Ni236  1  1.055084  0.801586  0.631287  1
  Ni  Ni237  1  1.055084  0.419650  0.675475  1
  Ni  Ni238  1  0.303758  0.014443  0.659419  1
  Ni  Ni239  1  0.305425  0.787351  0.593302  1
  Ni  Ni240  1  0.305306  0.404676  0.638133  1
