# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79423270
_cell_length_b   14.79163404
_cell_length_c   52.28310606
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al48 Ni80'
_cell_volume   2934.2796113
_cell_formula_units_Z   16
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  0.003954  0.676813  0.316860  1
  Al  Al2  1  1.003954  0.036627  0.255766  1
  Al  Al3  1  0.503954  0.611621  0.282509  1
  Al  Al4  1  0.503954  0.236124  0.343005  1
  Al  Al5  1  0.503954  0.749171  0.350856  1
  Al  Al6  1  0.503954  0.113401  0.290522  1
  Al  Al7  1  1.003954  0.991088  0.348620  1
  Al  Al8  1  0.003954  0.365075  0.281383  1
  Al  Al9  1  0.503954  0.918809  0.314979  1
  Al  Al10  1  0.503954  0.551205  0.375403  1
  Al  Al11  1  0.503954  0.802633  0.257744  1
  Al  Al12  1  0.503954  0.431686  0.318628  1
  Al  Al13  1  1.003954  0.939284  0.442622  1
  Al  Al14  1  0.003954  0.310114  0.377169  1
  Al  Al15  1  0.503954  0.866446  0.407946  1
  Al  Al16  1  0.503954  0.500690  0.469782  1
  Al  Al17  1  0.503954  0.013549  0.476904  1
  Al  Al18  1  0.503954  0.381546  0.412697  1
  Al  Al19  1  0.003954  0.258339  0.472253  1
  Al  Al20  1  1.003954  0.623954  0.410377  1
  Al  Al21  1  0.503954  0.184489  0.437929  1
  Al  Al22  1  0.503954  0.815948  0.502072  1
  Al  Al23  1  0.503954  0.064831  0.383090  1
  Al  Al24  1  0.503954  0.696811  0.445189  1
  Al  Al25  1  0.003954  0.207571  0.566614  1
  Al  Al26  1  0.003954  0.573424  0.504651  1
  Al  Al27  1  0.503954  0.133522  0.532222  1
  Al  Al28  1  0.503954  0.764987  0.596483  1
  Al  Al29  1  0.503954  0.280452  0.601264  1
  Al  Al30  1  0.503954  0.646040  0.539564  1
  Al  Al31  1  0.003954  0.523457  0.598897  1
  Al  Al32  1  0.003954  0.888611  0.536841  1
  Al  Al33  1  0.503954  0.450172  0.564041  1
  Al  Al34  1  0.503954  0.081850  0.626155  1
  Al  Al35  1  0.503954  0.330849  0.507118  1
  Al  Al36  1  0.503954  0.962543  0.571062  1
  Al  Al37  1  1.003954  0.468755  0.691589  1
  Al  Al38  1  1.003954  0.837398  0.631739  1
  Al  Al39  1  0.503954  0.396944  0.658013  1
  Al  Al40  1  0.503954  0.029911  0.719058  1
  Al  Al41  1  0.503954  0.530133  0.727537  1
  Al  Al42  1  0.503954  0.911587  0.665676  1
  Al  Al43  1  1.003954  0.779516  0.726101  1
  Al  Al44  1  1.003954  0.153776  0.660916  1
  Al  Al45  1  0.503954  0.713799  0.689531  1
  Al  Al46  1  0.503954  0.338890  0.750152  1
  Al  Al47  1  0.503954  0.595201  0.634608  1
  Al  Al48  1  0.503954  0.227098  0.693809  1
  Ni  Ni49  1  0.003954  0.863564  0.284808  1
  Ni  Ni50  1  1.003954  0.489248  0.347298  1
  Ni  Ni51  1  1.003954  0.015584  0.301517  1
  Ni  Ni52  1  1.003954  0.649405  0.363332  1
  Ni  Ni53  1  1.003954  0.150272  0.363678  1
  Ni  Ni54  1  0.003954  0.519110  0.301596  1
  Ni  Ni55  1  0.503954  0.957411  0.272118  1
  Ni  Ni56  1  0.503954  0.588881  0.330469  1
  Ni  Ni57  1  0.503954  0.765287  0.301550  1
  Ni  Ni58  1  0.503954  0.394654  0.363280  1
  Ni  Ni59  1  0.003954  0.542714  0.259539  1
  Ni  Ni60  1  1.003954  0.171438  0.317599  1
  Ni  Ni61  1  0.003954  0.708093  0.271889  1
  Ni  Ni62  1  0.003954  0.332005  0.328539  1
  Ni  Ni63  1  0.003954  0.833792  0.331687  1
  Ni  Ni64  1  1.003954  0.200601  0.274781  1
  Ni  Ni65  1  0.503954  0.905774  0.363395  1
  Ni  Ni66  1  0.503954  0.275720  0.297675  1
  Ni  Ni67  1  0.503954  0.076328  0.334636  1
  Ni  Ni68  1  0.503954  0.458441  0.272468  1
  Ni  Ni69  1  1.003954  0.124178  0.410543  1
  Ni  Ni70  1  1.003954  0.756536  0.473662  1
  Ni  Ni71  1  1.003954  0.283200  0.424808  1
  Ni  Ni72  1  1.003954  0.914617  0.489705  1
  Ni  Ni73  1  0.003954  0.415825  0.488433  1
  Ni  Ni74  1  1.003954  0.781578  0.426496  1
  Ni  Ni75  1  0.503954  0.224319  0.392822  1
  Ni  Ni76  1  0.503954  0.853808  0.457214  1
  Ni  Ni77  1  0.503954  0.025286  0.427867  1
  Ni  Ni78  1  0.503954  0.659005  0.490103  1
  Ni  Ni79  1  1.003954  0.807601  0.379238  1
  Ni  Ni80  1  0.003954  0.440841  0.441304  1
  Ni  Ni81  1  1.003954  0.965265  0.395607  1
  Ni  Ni82  1  0.003954  0.598730  0.457508  1
  Ni  Ni83  1  1.003954  0.098850  0.457480  1
  Ni  Ni84  1  1.003954  0.466420  0.394193  1
  Ni  Ni85  1  0.503954  0.172373  0.487287  1
  Ni  Ni86  1  0.503954  0.538311  0.424879  1
  Ni  Ni87  1  0.503954  0.343907  0.457652  1
  Ni  Ni88  1  0.503954  0.709627  0.395688  1
  Ni  Ni89  1  0.003954  0.390327  0.535566  1
  Ni  Ni90  1  1.003954  0.023026  0.598372  1
  Ni  Ni91  1  0.003954  0.548083  0.551778  1
  Ni  Ni92  1  1.003954  0.181338  0.613750  1
  Ni  Ni93  1  0.003954  0.680142  0.615619  1
  Ni  Ni94  1  0.003954  0.048201  0.551531  1
  Ni  Ni95  1  0.503954  0.487776  0.519153  1
  Ni  Ni96  1  0.503954  0.121549  0.581340  1
  Ni  Ni97  1  0.503954  0.293137  0.551985  1
  Ni  Ni98  1  0.503954  0.922683  0.616060  1
  Ni  Ni99  1  1.003954  0.073562  0.504528  1
  Ni  Ni100  1  0.003954  0.705559  0.568117  1
  Ni  Ni101  1  0.003954  0.232334  0.519460  1
  Ni  Ni102  1  1.003954  0.863616  0.584210  1
  Ni  Ni103  1  0.003954  0.365560  0.582681  1
  Ni  Ni104  1  0.003954  0.730948  0.520875  1
  Ni  Ni105  1  0.503954  0.437672  0.613363  1
  Ni  Ni106  1  0.503954  0.802943  0.551528  1
  Ni  Ni107  1  0.503954  0.608375  0.584539  1
  Ni  Ni108  1  0.503954  0.974662  0.521806  1
  Ni  Ni109  1  0.003954  0.654842  0.663019  1
  Ni  Ni110  1  1.003954  0.280798  0.722560  1
  Ni  Ni111  1  1.003954  0.815868  0.680128  1
  Ni  Ni112  1  1.003954  0.429057  0.735301  1
  Ni  Ni113  1  1.003954  0.937272  0.731299  1
  Ni  Ni114  1  1.003954  0.311891  0.676871  1
  Ni  Ni115  1  0.503954  0.752908  0.645538  1
  Ni  Ni116  1  0.503954  0.380674  0.706810  1
  Ni  Ni117  1  0.503954  0.556707  0.679898  1
  Ni  Ni118  1  0.503954  0.183870  0.736255  1
  Ni  Ni119  1  1.003954  0.339165  0.629811  1
  Ni  Ni120  1  1.003954  0.978084  0.690219  1
  Ni  Ni121  1  0.003954  0.496774  0.645599  1
  Ni  Ni122  1  1.003954  0.128733  0.708548  1
  Ni  Ni123  1  1.003954  0.623252  0.709639  1
  Ni  Ni124  1  1.003954  0.996604  0.644913  1
  Ni  Ni125  1  0.503954  0.687003  0.734231  1
  Ni  Ni126  1  0.503954  0.070208  0.675107  1
  Ni  Ni127  1  0.503954  0.867664  0.710306  1
  Ni  Ni128  1  0.503954  0.239908  0.645782  1
