# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95896335
_cell_length_b   11.04567204
_cell_length_c   48.54600715
_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   'Al27 Ni81'
_cell_volume   2591.78135509
_cell_formula_units_Z   27
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  0.114916  0.718856  0.276928  1
  Al  Al2  1  0.270714  0.036349  0.290561  1
  Al  Al3  1  0.424346  0.344679  0.306138  1
  Al  Al4  1  0.588050  0.668276  0.323433  1
  Al  Al5  1  0.747154  0.981039  0.341659  1
  Al  Al6  1  0.904150  0.295969  0.356741  1
  Al  Al7  1  0.060056  0.610658  0.373469  1
  Al  Al8  1  0.218354  0.928309  0.390343  1
  Al  Al9  1  0.375968  0.243634  0.407410  1
  Al  Al10  1  0.533253  0.558134  0.424090  1
  Al  Al11  1  0.690856  0.873707  0.441182  1
  Al  Al12  1  0.848825  0.189927  0.457961  1
  Al  Al13  1  0.006318  0.504958  0.474631  1
  Al  Al14  1  0.163881  0.820164  0.491353  1
  Al  Al15  1  0.321830  0.136234  0.508285  1
  Al  Al16  1  0.479622  0.452049  0.525248  1
  Al  Al17  1  0.636812  0.766549  0.541765  1
  Al  Al18  1  0.794762  0.082455  0.558458  1
  Al  Al19  1  0.953151  0.399330  0.575386  1
  Al  Al20  1  0.109974  0.713555  0.592656  1
  Al  Al21  1  0.266496  0.026497  0.608956  1
  Al  Al22  1  0.426187  0.345153  0.626738  1
  Al  Al23  1  0.586903  0.661929  0.643869  1
  Al  Al24  1  0.744612  0.975952  0.658659  1
  Al  Al25  1  0.897806  0.289684  0.672506  1
  Al  Al26  1  0.052697  0.610789  0.694076  1
  Al  Al27  1  0.210384  0.923872  0.709035  1
  Ni  Ni28  1  0.087390  0.665323  0.324560  1
  Ni  Ni29  1  0.767016  0.024261  0.293689  1
  Ni  Ni30  1  0.930443  0.357453  0.308697  1
  Ni  Ni31  1  0.422939  0.852264  0.309273  1
  Ni  Ni32  1  0.027408  0.210103  0.280888  1
  Ni  Ni33  1  0.258369  0.531617  0.293615  1
  Ni  Ni34  1  0.939971  0.852167  0.309323  1
  Ni  Ni35  1  0.094916  0.161724  0.325221  1
  Ni  Ni36  1  0.781492  0.533248  0.293753  1
  Ni  Ni37  1  0.560728  0.612071  0.373612  1
  Ni  Ni38  1  0.250243  0.983128  0.340097  1
  Ni  Ni39  1  0.405520  0.295892  0.356440  1
  Ni  Ni40  1  0.902888  0.796332  0.357359  1
  Ni  Ni41  1  0.603738  0.165560  0.322164  1
  Ni  Ni42  1  0.738809  0.480274  0.340253  1
  Ni  Ni43  1  0.403738  0.796394  0.357394  1
  Ni  Ni44  1  0.558642  0.113614  0.373673  1
  Ni  Ni45  1  0.249868  0.480038  0.340185  1
  Ni  Ni46  1  0.033152  0.557940  0.424091  1
  Ni  Ni47  1  0.717350  0.927448  0.391266  1
  Ni  Ni48  1  0.875221  0.243558  0.407557  1
  Ni  Ni49  1  0.374586  0.742637  0.407415  1
  Ni  Ni50  1  0.059162  0.112624  0.374666  1
  Ni  Ni51  1  0.218655  0.426861  0.390413  1
  Ni  Ni52  1  0.876335  0.742703  0.407392  1
  Ni  Ni53  1  0.034341  0.058594  0.424594  1
  Ni  Ni54  1  0.718107  0.426897  0.390464  1
  Ni  Ni55  1  0.506347  0.505045  0.474662  1
  Ni  Ni56  1  0.191184  0.873988  0.440932  1
  Ni  Ni57  1  0.349049  0.189966  0.457913  1
  Ni  Ni58  1  0.848643  0.689112  0.457739  1
  Ni  Ni59  1  0.533455  0.058909  0.424273  1
  Ni  Ni60  1  0.690656  0.374170  0.441114  1
  Ni  Ni61  1  0.348360  0.689083  0.457733  1
  Ni  Ni62  1  0.506192  0.005111  0.474659  1
  Ni  Ni63  1  0.191075  0.374146  0.441067  1
  Ni  Ni64  1  0.979551  0.451990  0.525071  1
  Ni  Ni65  1  0.663705  0.820143  0.491416  1
  Ni  Ni66  1  0.821720  0.136344  0.508259  1
  Ni  Ni67  1  0.321680  0.635888  0.508182  1
  Ni  Ni68  1  0.006405  0.005068  0.474707  1
  Ni  Ni69  1  0.164399  0.320886  0.491577  1
  Ni  Ni70  1  0.821788  0.635898  0.508214  1
  Ni  Ni71  1  0.978937  0.951311  0.524812  1
  Ni  Ni72  1  0.664022  0.320910  0.491585  1
  Ni  Ni73  1  0.453023  0.399039  0.575965  1
  Ni  Ni74  1  0.137106  0.766470  0.541851  1
  Ni  Ni75  1  0.294842  0.082017  0.558564  1
  Ni  Ni76  1  0.794702  0.583179  0.558882  1
  Ni  Ni77  1  0.478832  0.951130  0.524998  1
  Ni  Ni78  1  0.637054  0.267502  0.541937  1
  Ni  Ni79  1  0.294634  0.583146  0.558800  1
  Ni  Ni80  1  0.452800  0.896900  0.575428  1
  Ni  Ni81  1  0.137680  0.267455  0.541950  1
  Ni  Ni82  1  0.926286  0.345426  0.624640  1
  Ni  Ni83  1  0.608793  0.713406  0.592471  1
  Ni  Ni84  1  0.766379  0.028180  0.608432  1
  Ni  Ni85  1  0.270197  0.530493  0.609587  1
  Ni  Ni86  1  0.953318  0.897509  0.574859  1
  Ni  Ni87  1  0.111884  0.213548  0.592111  1
  Ni  Ni88  1  0.768845  0.530635  0.609687  1
  Ni  Ni89  1  0.922702  0.844571  0.625240  1
  Ni  Ni90  1  0.608087  0.213682  0.592058  1
  Ni  Ni91  1  0.398167  0.289402  0.676138  1
  Ni  Ni92  1  0.088791  0.661172  0.643805  1
  Ni  Ni93  1  0.247088  0.974461  0.659645  1
  Ni  Ni94  1  0.746601  0.477152  0.659458  1
  Ni  Ni95  1  0.421202  0.843112  0.626726  1
  Ni  Ni96  1  0.580993  0.157712  0.641555  1
  Ni  Ni97  1  0.235968  0.477036  0.659390  1
  Ni  Ni98  1  0.429924  0.790555  0.680032  1
  Ni  Ni99  1  0.085508  0.157557  0.641646  1
  Ni  Ni100  1  0.870550  0.234857  0.718973  1
  Ni  Ni101  1  0.544534  0.591083  0.691749  1
  Ni  Ni102  1  0.724915  0.946285  0.707151  1
  Ni  Ni103  1  0.209199  0.414141  0.705596  1
  Ni  Ni104  1  0.920453  0.796787  0.674399  1
  Ni  Ni105  1  0.067512  0.110435  0.690249  1
  Ni  Ni106  1  0.709513  0.414813  0.705709  1
  Ni  Ni107  1  0.768218  0.752826  0.717280  1
  Ni  Ni108  1  0.550007  0.110491  0.690277  1
