# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.79800420
_cell_length_b   6.93644549
_cell_length_c   48.34213070
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   61.70321801
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al42 Ni70'
_cell_volume   2892.88860364
_cell_formula_units_Z   14
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  0.784145  0.631127  0.310402  1
  Al  Al2  1  0.071802  0.271689  0.297807  1
  Al  Al3  1  0.493376  0.987797  0.326775  1
  Al  Al4  1  0.284926  0.638843  0.312589  1
  Al  Al5  1  0.569892  0.268259  0.297563  1
  Al  Al6  1  0.992727  0.996572  0.331223  1
  Al  Al7  1  0.639797  0.057019  0.374962  1
  Al  Al8  1  0.935010  0.698475  0.360487  1
  Al  Al9  1  0.346902  0.418255  0.390703  1
  Al  Al10  1  0.137346  0.063257  0.376261  1
  Al  Al11  1  0.436843  0.693246  0.360271  1
  Al  Al12  1  0.844308  0.424206  0.390617  1
  Al  Al13  1  0.497069  0.483869  0.438542  1
  Al  Al14  1  0.789797  0.125144  0.423990  1
  Al  Al15  1  0.204898  0.847126  0.453356  1
  Al  Al16  1  0.995831  0.488027  0.438843  1
  Al  Al17  1  0.291129  0.122838  0.422904  1
  Al  Al18  1  0.704249  0.848933  0.453775  1
  Al  Al19  1  0.355825  0.912576  0.500989  1
  Al  Al20  1  0.647981  0.552599  0.486088  1
  Al  Al21  1  0.062876  0.274206  0.516342  1
  Al  Al22  1  0.855161  0.914208  0.501570  1
  Al  Al23  1  0.148966  0.550182  0.486090  1
  Al  Al24  1  0.561905  0.276440  0.516605  1
  Al  Al25  1  0.215228  0.337898  0.563875  1
  Al  Al26  1  0.506305  0.979084  0.549302  1
  Al  Al27  1  0.920690  0.701439  0.578861  1
  Al  Al28  1  0.713496  0.343564  0.563971  1
  Al  Al29  1  0.006440  0.978187  0.548734  1
  Al  Al30  1  0.419808  0.704071  0.579418  1
  Al  Al31  1  0.073319  0.766923  0.625873  1
  Al  Al32  1  0.364900  0.406722  0.611897  1
  Al  Al33  1  0.774360  0.130412  0.641752  1
  Al  Al34  1  0.570763  0.766262  0.628209  1
  Al  Al35  1  0.865723  0.403986  0.611815  1
  Al  Al36  1  0.275994  0.130835  0.642615  1
  Al  Al37  1  0.928485  0.182951  0.691588  1
  Al  Al38  1  0.214511  0.838511  0.674420  1
  Al  Al39  1  0.645622  0.542661  0.705057  1
  Al  Al40  1  0.423342  0.201200  0.690340  1
  Al  Al41  1  0.721695  0.828834  0.672615  1
  Al  Al42  1  0.135326  0.566175  0.704589  1
  Ni  Ni43  1  0.710561  0.339105  0.345408  1
  Ni  Ni44  1  0.458491  0.344093  0.344028  1
  Ni  Ni45  1  0.033782  0.639415  0.312819  1
  Ni  Ni46  1  0.751444  0.982512  0.328458  1
  Ni  Ni47  1  0.819328  0.262926  0.299103  1
  Ni  Ni48  1  0.338104  0.922815  0.285642  1
  Ni  Ni49  1  0.080028  0.920874  0.284283  1
  Ni  Ni50  1  0.540385  0.619961  0.313496  1
  Ni  Ni51  1  0.243558  0.993755  0.331030  1
  Ni  Ni52  1  0.309985  0.287498  0.299154  1
  Ni  Ni53  1  0.570022  0.771935  0.406032  1
  Ni  Ni54  1  0.320619  0.770172  0.406741  1
  Ni  Ni55  1  0.888095  0.059244  0.377118  1
  Ni  Ni56  1  0.602946  0.409041  0.392164  1
  Ni  Ni57  1  0.680672  0.702797  0.357980  1
  Ni  Ni58  1  0.204670  0.354094  0.345303  1
  Ni  Ni59  1  0.957144  0.352843  0.344241  1
  Ni  Ni60  1  0.389981  0.058002  0.374674  1
  Ni  Ni61  1  0.100938  0.415754  0.392391  1
  Ni  Ni62  1  0.181006  0.705556  0.359944  1
  Ni  Ni63  1  0.427178  0.197632  0.469661  1
  Ni  Ni64  1  0.176777  0.198791  0.469634  1
  Ni  Ni65  1  0.745656  0.488737  0.438336  1
  Ni  Ni66  1  0.461777  0.837808  0.454035  1
  Ni  Ni67  1  0.534798  0.130380  0.422002  1
  Ni  Ni68  1  0.070014  0.773317  0.407459  1
  Ni  Ni69  1  0.819054  0.774425  0.407052  1
  Ni  Ni70  1  0.247318  0.484185  0.438420  1
  Ni  Ni71  1  0.961138  0.840065  0.454955  1
  Ni  Ni72  1  0.032347  0.135900  0.422584  1
  Ni  Ni73  1  0.284944  0.625778  0.532364  1
  Ni  Ni74  1  0.035156  0.625508  0.532572  1
  Ni  Ni75  1  0.605384  0.913817  0.501559  1
  Ni  Ni76  1  0.319858  0.264706  0.517223  1
  Ni  Ni77  1  0.392031  0.559063  0.485038  1
  Ni  Ni78  1  0.925402  0.202207  0.469934  1
  Ni  Ni79  1  0.675977  0.200250  0.470263  1
  Ni  Ni80  1  0.105595  0.912897  0.501020  1
  Ni  Ni81  1  0.818621  0.268291  0.517376  1
  Ni  Ni82  1  0.891113  0.561583  0.485569  1
  Ni  Ni83  1  0.141781  0.051720  0.595687  1
  Ni  Ni84  1  0.890672  0.054678  0.595210  1
  Ni  Ni85  1  0.463623  0.342114  0.564197  1
  Ni  Ni86  1  0.178196  0.691603  0.579626  1
  Ni  Ni87  1  0.250082  0.985808  0.547859  1
  Ni  Ni88  1  0.783922  0.628087  0.533226  1
  Ni  Ni89  1  0.533729  0.628779  0.532696  1
  Ni  Ni90  1  0.965021  0.338517  0.564111  1
  Ni  Ni91  1  0.675970  0.695759  0.581010  1
  Ni  Ni92  1  0.748863  0.989834  0.548237  1
  Ni  Ni93  1  0.003049  0.478567  0.656961  1
  Ni  Ni94  1  0.755709  0.471861  0.658572  1
  Ni  Ni95  1  0.320936  0.769231  0.627234  1
  Ni  Ni96  1  0.030453  0.121372  0.643574  1
  Ni  Ni97  1  0.109655  0.412195  0.610206  1
  Ni  Ni98  1  0.640035  0.057059  0.595843  1
  Ni  Ni99  1  0.391843  0.053624  0.596179  1
  Ni  Ni100  1  0.822163  0.767052  0.626069  1
  Ni  Ni101  1  0.530130  0.123632  0.643522  1
  Ni  Ni102  1  0.608069  0.416695  0.610485  1
  Ni  Ni103  1  0.875875  0.901447  0.717000  1
  Ni  Ni104  1  0.621033  0.904761  0.718259  1
  Ni  Ni105  1  0.173059  0.201193  0.689683  1
  Ni  Ni106  1  0.894906  0.546884  0.703462  1
  Ni  Ni107  1  0.964381  0.836147  0.670752  1
  Ni  Ni108  1  0.502989  0.482623  0.657533  1
  Ni  Ni109  1  0.250181  0.484168  0.658080  1
  Ni  Ni110  1  0.673225  0.191263  0.688918  1
  Ni  Ni111  1  0.396762  0.554768  0.703506  1
  Ni  Ni112  1  0.462059  0.841478  0.675341  1
