# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.86515446
_cell_length_b   12.30797775
_cell_length_c   48.12084044
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al48 Ni144'
_cell_volume   4419.24843541
_cell_formula_units_Z   48
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  0.033626  0.612208  0.274022  1
  Al  Al2  1  0.254988  0.057671  0.309973  1
  Al  Al3  1  0.364394  0.778347  0.331588  1
  Al  Al4  1  0.145891  0.338254  0.292477  1
  Al  Al5  1  0.864394  0.778347  0.331588  1
  Al  Al6  1  0.645891  0.338254  0.292477  1
  Al  Al7  1  0.533626  0.612208  0.274022  1
  Al  Al8  1  0.754988  0.057671  0.309973  1
  Al  Al9  1  0.474845  0.501240  0.350215  1
  Al  Al10  1  0.694536  0.944211  0.388260  1
  Al  Al11  1  0.804171  0.665304  0.407446  1
  Al  Al12  1  0.584658  0.222397  0.369159  1
  Al  Al13  1  0.304171  0.665304  0.407446  1
  Al  Al14  1  0.084658  0.222397  0.369159  1
  Al  Al15  1  0.974845  0.501240  0.350215  1
  Al  Al16  1  0.194536  0.944211  0.388260  1
  Al  Al17  1  0.914312  0.387515  0.427035  1
  Al  Al18  1  0.134106  0.830815  0.465401  1
  Al  Al19  1  0.244044  0.552626  0.484695  1
  Al  Al20  1  0.024227  0.109210  0.446216  1
  Al  Al21  1  0.744044  0.552626  0.484695  1
  Al  Al22  1  0.524227  0.109210  0.446216  1
  Al  Al23  1  0.414312  0.387515  0.427035  1
  Al  Al24  1  0.634106  0.830815  0.465401  1
  Al  Al25  1  0.353836  0.274068  0.503906  1
  Al  Al26  1  0.573760  0.717673  0.542576  1
  Al  Al27  1  0.683623  0.439335  0.561617  1
  Al  Al28  1  0.463798  0.995884  0.523072  1
  Al  Al29  1  0.183623  0.439335  0.561617  1
  Al  Al30  1  0.963798  0.995884  0.523072  1
  Al  Al31  1  0.853836  0.274068  0.503906  1
  Al  Al32  1  0.073760  0.717673  0.542576  1
  Al  Al33  1  0.793439  0.160834  0.580995  1
  Al  Al34  1  0.013266  0.604134  0.619452  1
  Al  Al35  1  0.123733  0.327113  0.639371  1
  Al  Al36  1  0.903509  0.882864  0.599944  1
  Al  Al37  1  0.623733  0.327113  0.639371  1
  Al  Al38  1  0.403509  0.882864  0.599944  1
  Al  Al39  1  0.293439  0.160834  0.580995  1
  Al  Al40  1  0.513266  0.604134  0.619452  1
  Al  Al41  1  0.232301  0.046053  0.658488  1
  Al  Al42  1  0.454454  0.493945  0.694796  1
  Al  Al43  1  0.559751  0.205700  0.714398  1
  Al  Al44  1  0.343025  0.769314  0.676349  1
  Al  Al45  1  0.059751  0.205700  0.714398  1
  Al  Al46  1  0.843025  0.769314  0.676349  1
  Al  Al47  1  0.732301  0.046053  0.658488  1
  Al  Al48  1  0.954454  0.493945  0.694796  1
  Ni  Ni49  1  0.948484  0.944342  0.302779  1
  Ni  Ni50  1  0.170381  0.391295  0.340387  1
  Ni  Ni51  1  0.147029  0.840539  0.290838  1
  Ni  Ni52  1  0.364311  0.278340  0.331267  1
  Ni  Ni53  1  0.670225  0.890732  0.339899  1
  Ni  Ni54  1  0.448264  0.443653  0.302518  1
  Ni  Ni55  1  0.060489  0.669628  0.321182  1
  Ni  Ni56  1  0.842946  0.231679  0.282429  1
  Ni  Ni57  1  0.254655  0.556771  0.309429  1
  Ni  Ni58  1  0.034017  0.113006  0.273614  1
  Ni  Ni59  1  0.342871  0.731523  0.282748  1
  Ni  Ni60  1  0.559509  0.167882  0.321392  1
  Ni  Ni61  1  0.560489  0.669628  0.321182  1
  Ni  Ni62  1  0.342946  0.231679  0.282429  1
  Ni  Ni63  1  0.754655  0.556771  0.309429  1
  Ni  Ni64  1  0.534017  0.113006  0.273614  1
  Ni  Ni65  1  0.842871  0.731523  0.282748  1
  Ni  Ni66  1  0.059509  0.167882  0.321392  1
  Ni  Ni67  1  0.448484  0.944342  0.302779  1
  Ni  Ni68  1  0.670381  0.391295  0.340387  1
  Ni  Ni69  1  0.647029  0.840539  0.290838  1
  Ni  Ni70  1  0.864311  0.278340  0.331267  1
  Ni  Ni71  1  0.170225  0.890732  0.339899  1
  Ni  Ni72  1  0.948264  0.443653  0.302518  1
  Ni  Ni73  1  0.389402  0.833116  0.379233  1
  Ni  Ni74  1  0.609334  0.276593  0.417234  1
  Ni  Ni75  1  0.584626  0.722445  0.369028  1
  Ni  Ni76  1  0.804254  0.165508  0.407481  1
  Ni  Ni77  1  0.109343  0.776537  0.417209  1
  Ni  Ni78  1  0.889653  0.333439  0.379039  1
  Ni  Ni79  1  0.499480  0.555067  0.398201  1
  Ni  Ni80  1  0.279275  0.110684  0.359027  1
  Ni  Ni81  1  0.694783  0.444664  0.388432  1
  Ni  Ni82  1  0.474372  1.000063  0.350444  1
  Ni  Ni83  1  0.779058  0.610372  0.358931  1
  Ni  Ni84  1  0.999380  0.054896  0.398204  1
  Ni  Ni85  1  0.999480  0.555067  0.398201  1
  Ni  Ni86  1  0.779275  0.110684  0.359027  1
  Ni  Ni87  1  0.194783  0.444664  0.388432  1
  Ni  Ni88  1  0.974372  1.000063  0.350444  1
  Ni  Ni89  1  0.279058  0.610372  0.358931  1
  Ni  Ni90  1  0.499380  0.054896  0.398204  1
  Ni  Ni91  1  0.889402  0.833116  0.379233  1
  Ni  Ni92  1  0.109334  0.276593  0.417234  1
  Ni  Ni93  1  0.084626  0.722445  0.369028  1
  Ni  Ni94  1  0.304254  0.165508  0.407481  1
  Ni  Ni95  1  0.609343  0.776537  0.417209  1
  Ni  Ni96  1  0.389653  0.333439  0.379039  1
  Ni  Ni97  1  0.829059  0.719815  0.455741  1
  Ni  Ni98  1  0.048994  0.163452  0.494284  1
  Ni  Ni99  1  0.024238  0.609252  0.446253  1
  Ni  Ni100  1  0.243998  0.052515  0.484697  1
  Ni  Ni101  1  0.548992  0.663457  0.494368  1
  Ni  Ni102  1  0.329085  0.219846  0.455743  1
  Ni  Ni103  1  0.939039  0.441684  0.475108  1
  Ni  Ni104  1  0.719314  0.998430  0.436495  1
  Ni  Ni105  1  0.134102  0.330829  0.465359  1
  Ni  Ni106  1  0.914283  0.887429  0.427110  1
  Ni  Ni107  1  0.219355  0.498517  0.436566  1
  Ni  Ni108  1  0.439068  0.941693  0.475065  1
  Ni  Ni109  1  0.439039  0.441684  0.475108  1
  Ni  Ni110  1  0.219314  0.998430  0.436495  1
  Ni  Ni111  1  0.634102  0.330829  0.465359  1
  Ni  Ni112  1  0.414283  0.887429  0.427110  1
  Ni  Ni113  1  0.719355  0.498517  0.436566  1
  Ni  Ni114  1  0.939068  0.941693  0.475065  1
  Ni  Ni115  1  0.329059  0.719815  0.455741  1
  Ni  Ni116  1  0.548994  0.163452  0.494284  1
  Ni  Ni117  1  0.524238  0.609252  0.446253  1
  Ni  Ni118  1  0.743998  0.052515  0.484697  1
  Ni  Ni119  1  0.048992  0.663457  0.494368  1
  Ni  Ni120  1  0.829085  0.219846  0.455743  1
  Ni  Ni121  1  0.268848  0.606921  0.532817  1
  Ni  Ni122  1  0.488621  0.050163  0.571019  1
  Ni  Ni123  1  0.463829  0.495933  0.523204  1
  Ni  Ni124  1  0.683441  0.938901  0.561805  1
  Ni  Ni125  1  0.988538  0.550112  0.571314  1
  Ni  Ni126  1  0.768671  0.106611  0.532867  1
  Ni  Ni127  1  0.378578  0.328296  0.552018  1
  Ni  Ni128  1  0.158776  0.884923  0.513582  1
  Ni  Ni129  1  0.573821  0.217840  0.542396  1
  Ni  Ni130  1  0.353895  0.774194  0.503871  1
  Ni  Ni131  1  0.658884  0.385079  0.513499  1
  Ni  Ni132  1  0.878704  0.828442  0.551950  1
  Ni  Ni133  1  0.878578  0.328296  0.552018  1
  Ni  Ni134  1  0.658776  0.884923  0.513582  1
  Ni  Ni135  1  0.073821  0.217840  0.542396  1
  Ni  Ni136  1  0.853895  0.774194  0.503871  1
  Ni  Ni137  1  0.158884  0.385079  0.513499  1
  Ni  Ni138  1  0.378704  0.828442  0.551950  1
  Ni  Ni139  1  0.768848  0.606921  0.532817  1
  Ni  Ni140  1  0.988621  0.050163  0.571019  1
  Ni  Ni141  1  0.963829  0.495933  0.523204  1
  Ni  Ni142  1  0.183441  0.938901  0.561805  1
  Ni  Ni143  1  0.488538  0.550112  0.571314  1
  Ni  Ni144  1  0.268671  0.106611  0.532867  1
  Ni  Ni145  1  0.708150  0.493012  0.609811  1
  Ni  Ni146  1  0.928846  0.937931  0.647752  1
  Ni  Ni147  1  0.903292  0.382282  0.600013  1
  Ni  Ni148  1  0.123857  0.827287  0.639446  1
  Ni  Ni149  1  0.427977  0.436317  0.647814  1
  Ni  Ni150  1  0.208141  0.993144  0.610040  1
  Ni  Ni151  1  0.817989  0.214766  0.629200  1
  Ni  Ni152  1  0.598441  0.771911  0.590878  1
  Ni  Ni153  1  0.013445  0.104594  0.618784  1
  Ni  Ni154  1  0.793501  0.661027  0.580943  1
  Ni  Ni155  1  0.098792  0.272394  0.590653  1
  Ni  Ni156  1  0.318432  0.715440  0.628882  1
  Ni  Ni157  1  0.317989  0.214766  0.629200  1
  Ni  Ni158  1  0.098441  0.771911  0.590878  1
  Ni  Ni159  1  0.513445  0.104594  0.618784  1
  Ni  Ni160  1  0.293501  0.661027  0.580943  1
  Ni  Ni161  1  0.598792  0.272394  0.590653  1
  Ni  Ni162  1  0.818432  0.715440  0.628882  1
  Ni  Ni163  1  0.208150  0.493012  0.609811  1
  Ni  Ni164  1  0.428846  0.937931  0.647752  1
  Ni  Ni165  1  0.403292  0.382282  0.600013  1
  Ni  Ni166  1  0.623857  0.827287  0.639446  1
  Ni  Ni167  1  0.927977  0.436317  0.647814  1
  Ni  Ni168  1  0.708141  0.993144  0.610040  1
  Ni  Ni169  1  0.148209  0.381031  0.688807  1
  Ni  Ni170  1  0.368219  0.823346  0.724028  1
  Ni  Ni171  1  0.342501  0.268401  0.677046  1
  Ni  Ni172  1  0.558864  0.704097  0.716333  1
  Ni  Ni173  1  0.869523  0.325798  0.724492  1
  Ni  Ni174  1  0.647090  0.878693  0.688951  1
  Ni  Ni175  1  0.256032  0.097655  0.707213  1
  Ni  Ni176  1  0.038862  0.660008  0.667135  1
  Ni  Ni177  1  0.454080  0.993081  0.695584  1
  Ni  Ni178  1  0.232573  0.546661  0.657980  1
  Ni  Ni179  1  0.538157  0.158439  0.666478  1
  Ni  Ni180  1  0.756446  0.598564  0.706461  1
  Ni  Ni181  1  0.756032  0.097655  0.707213  1
  Ni  Ni182  1  0.538862  0.660008  0.667135  1
  Ni  Ni183  1  0.954080  0.993081  0.695584  1
  Ni  Ni184  1  0.732573  0.546661  0.657980  1
  Ni  Ni185  1  0.038157  0.158439  0.666478  1
  Ni  Ni186  1  0.256446  0.598564  0.706461  1
  Ni  Ni187  1  0.648209  0.381031  0.688807  1
  Ni  Ni188  1  0.868219  0.823346  0.724028  1
  Ni  Ni189  1  0.842501  0.268401  0.677046  1
  Ni  Ni190  1  0.058864  0.704097  0.716333  1
  Ni  Ni191  1  0.369523  0.325798  0.724492  1
  Ni  Ni192  1  0.147090  0.878693  0.688951  1
