# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01966236
_cell_length_b   11.21099921
_cell_length_c   49.22246903
_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   2699.87728145
_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  0.689203  0.873088  0.280722  1
  Al  Al2  1  0.844616  0.183867  0.295876  1
  Al  Al3  1  0.006211  0.507091  0.315098  1
  Al  Al4  1  0.162288  0.819267  0.333059  1
  Al  Al5  1  0.320463  0.135633  0.348808  1
  Al  Al6  1  0.477945  0.450616  0.365311  1
  Al  Al7  1  0.636371  0.767485  0.382038  1
  Al  Al8  1  0.794097  0.082958  0.398608  1
  Al  Al9  1  0.951777  0.398336  0.415278  1
  Al  Al10  1  0.109587  0.713975  0.432159  1
  Al  Al11  1  0.267546  0.029909  0.448812  1
  Al  Al12  1  0.425307  0.345449  0.465454  1
  Al  Al13  1  0.583118  0.661091  0.482138  1
  Al  Al14  1  0.740988  0.976847  0.498843  1
  Al  Al15  1  0.898857  0.292603  0.515548  1
  Al  Al16  1  0.056668  0.608244  0.532231  1
  Al  Al17  1  0.214429  0.923785  0.548873  1
  Al  Al18  1  0.372388  0.239719  0.565526  1
  Al  Al19  1  0.530198  0.555357  0.582408  1
  Al  Al20  1  0.687878  0.870735  0.599078  1
  Al  Al21  1  0.845604  0.186208  0.615648  1
  Al  Al22  1  1.004030  0.503077  0.632374  1
  Al  Al23  1  0.161512  0.818061  0.648877  1
  Al  Al24  1  0.319687  0.134427  0.664627  1
  Al  Al25  1  0.475764  0.446602  0.682588  1
  Al  Al26  1  0.637359  0.769826  0.701809  1
  Al  Al27  1  0.792772  0.080606  0.716964  1
  Ni  Ni28  1  0.188991  0.872653  0.284886  1
  Ni  Ni29  1  0.346288  0.187211  0.298806  1
  Ni  Ni30  1  0.505476  0.505618  0.315681  1
  Ni  Ni31  1  0.348365  0.687535  0.298900  1
  Ni  Ni32  1  0.505508  0.003732  0.315548  1
  Ni  Ni33  1  0.195637  0.375393  0.284212  1
  Ni  Ni34  1  0.844525  0.687541  0.298900  1
  Ni  Ni35  1  1.003548  0.003732  0.315549  1
  Ni  Ni36  1  0.685115  0.375401  0.284213  1
  Ni  Ni37  1  0.662351  0.819396  0.331617  1
  Ni  Ni38  1  0.820970  0.136647  0.348079  1
  Ni  Ni39  1  0.978215  0.451161  0.364941  1
  Ni  Ni40  1  0.820283  0.636252  0.348853  1
  Ni  Ni41  1  0.977547  0.951859  0.365298  1
  Ni  Ni42  1  0.663062  0.318286  0.331772  1
  Ni  Ni43  1  0.321265  0.636249  0.348854  1
  Ni  Ni44  1  0.479585  0.951859  0.365297  1
  Ni  Ni45  1  0.160527  0.318288  0.331772  1
  Ni  Ni46  1  0.136244  0.767233  0.382422  1
  Ni  Ni47  1  0.293962  0.082686  0.398754  1
  Ni  Ni48  1  0.451684  0.398149  0.415372  1
  Ni  Ni49  1  0.293883  0.582422  0.398682  1
  Ni  Ni50  1  0.452181  0.898698  0.415472  1
  Ni  Ni51  1  0.135666  0.266883  0.381916  1
  Ni  Ni52  1  0.793774  0.582423  0.398682  1
  Ni  Ni53  1  0.951736  0.898698  0.415472  1
  Ni  Ni54  1  0.636471  0.266882  0.381916  1
  Ni  Ni55  1  0.609614  0.714029  0.432054  1
  Ni  Ni56  1  0.767585  0.029986  0.448778  1
  Ni  Ni57  1  0.925326  0.345487  0.465435  1
  Ni  Ni58  1  0.767408  0.529644  0.448749  1
  Ni  Ni59  1  0.925265  0.845488  0.465472  1
  Ni  Ni60  1  0.609734  0.214117  0.432063  1
  Ni  Ni61  1  0.267417  0.529643  0.448749  1
  Ni  Ni62  1  0.425388  0.845488  0.465472  1
  Ni  Ni63  1  0.109585  0.214118  0.432063  1
  Ni  Ni64  1  0.083112  0.661078  0.482162  1
  Ni  Ni65  1  0.240988  0.976847  0.498843  1
  Ni  Ni66  1  0.398863  0.292616  0.515523  1
  Ni  Ni67  1  0.240988  0.476847  0.498843  1
  Ni  Ni68  1  0.398826  0.792455  0.515525  1
  Ni  Ni69  1  0.083149  0.161238  0.482160  1
  Ni  Ni70  1  0.740988  0.476847  0.498843  1
  Ni  Ni71  1  0.898739  0.792455  0.515525  1
  Ni  Ni72  1  0.583236  0.161238  0.482160  1
  Ni  Ni73  1  0.556649  0.608207  0.532251  1
  Ni  Ni74  1  0.714391  0.923708  0.548907  1
  Ni  Ni75  1  0.872361  0.239664  0.565632  1
  Ni  Ni76  1  0.714567  0.424050  0.548937  1
  Ni  Ni77  1  0.872241  0.739576  0.565623  1
  Ni  Ni78  1  0.556711  0.108205  0.532213  1
  Ni  Ni79  1  0.214558  0.424050  0.548937  1
  Ni  Ni80  1  0.372391  0.739576  0.565623  1
  Ni  Ni81  1  0.056587  0.108205  0.532213  1
  Ni  Ni82  1  0.030291  0.555545  0.582314  1
  Ni  Ni83  1  0.188013  0.871008  0.598931  1
  Ni  Ni84  1  0.345731  0.186461  0.615264  1
  Ni  Ni85  1  0.188092  0.371271  0.599004  1
  Ni  Ni86  1  0.346309  0.686811  0.615770  1
  Ni  Ni87  1  0.029794  0.054996  0.582214  1
  Ni  Ni88  1  0.688201  0.371270  0.599004  1
  Ni  Ni89  1  0.845504  0.686811  0.615770  1
  Ni  Ni90  1  0.530239  0.054996  0.582214  1
  Ni  Ni91  1  0.503760  0.502532  0.632745  1
  Ni  Ni92  1  0.661005  0.817046  0.649606  1
  Ni  Ni93  1  0.819624  0.134298  0.666068  1
  Ni  Ni94  1  0.661692  0.317442  0.648832  1
  Ni  Ni95  1  0.818913  0.635407  0.665914  1
  Ni  Ni96  1  0.504428  1.001834  0.632388  1
  Ni  Ni97  1  0.160710  0.317444  0.648832  1
  Ni  Ni98  1  0.321448  0.635406  0.665913  1
  Ni  Ni99  1  1.002390  1.001835  0.632388  1
  Ni  Ni100  1  0.976499  0.448075  0.682005  1
  Ni  Ni101  1  0.135687  0.766483  0.698880  1
  Ni  Ni102  1  0.292984  0.081041  0.712799  1
  Ni  Ni103  1  0.133610  0.266158  0.698786  1
  Ni  Ni104  1  0.286338  0.578301  0.713473  1
  Ni  Ni105  1  0.976467  0.949962  0.682137  1
  Ni  Ni106  1  0.637450  0.266153  0.698786  1
  Ni  Ni107  1  0.796860  0.578293  0.713473  1
  Ni  Ni108  1  0.478427  0.949961  0.682136  1
