# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78313090
_cell_length_b   16.31624522
_cell_length_c   53.49376216
_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   3301.98225035
_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  1.005433  0.861967  0.300948  1
  Al  Al2  1  1.005433  0.286143  0.354881  1
  Al  Al3  1  0.505433  0.740606  0.287719  1
  Al  Al4  1  0.505433  0.167950  0.340574  1
  Al  Al5  1  0.505433  0.980325  0.319815  1
  Al  Al6  1  0.505433  0.402501  0.370908  1
  Al  Al7  1  1.005433  0.141497  0.273827  1
  Al  Al8  1  1.005433  0.576759  0.328634  1
  Al  Al9  1  0.505433  0.880404  0.368977  1
  Al  Al10  1  0.505433  0.452756  0.313530  1
  Al  Al11  1  0.505433  0.691416  0.343977  1
  Al  Al12  1  0.505433  0.264625  0.289455  1
  Al  Al13  1  1.005433  0.707990  0.412172  1
  Al  Al14  1  1.005433  0.129899  0.469213  1
  Al  Al15  1  0.505433  0.590481  0.396215  1
  Al  Al16  1  0.505433  0.013025  0.453341  1
  Al  Al17  1  0.505433  0.825100  0.428026  1
  Al  Al18  1  0.505433  0.247086  0.484500  1
  Al  Al19  1  1.005433  0.997618  0.384900  1
  Al  Al20  1  1.005433  0.418102  0.439415  1
  Al  Al21  1  0.505433  0.722911  0.480500  1
  Al  Al22  1  0.505433  0.300994  0.424250  1
  Al  Al23  1  0.505433  0.534916  0.455263  1
  Al  Al24  1  0.505433  0.115730  0.400633  1
  Al  Al25  1  1.005433  0.550346  0.523507  1
  Al  Al26  1  0.005433  0.972121  0.579985  1
  Al  Al27  1  0.505433  0.433046  0.508180  1
  Al  Al28  1  0.505433  0.855063  0.564685  1
  Al  Al29  1  0.505433  0.667386  0.539403  1
  Al  Al30  1  0.505433  0.089494  0.596321  1
  Al  Al31  1  1.005433  0.840058  0.496246  1
  Al  Al32  1  1.005433  0.262210  0.553544  1
  Al  Al33  1  0.505433  0.564451  0.591781  1
  Al  Al34  1  0.505433  0.145592  0.537595  1
  Al  Al35  1  0.505433  0.379246  0.568513  1
  Al  Al36  1  0.505433  0.957246  0.512115  1
  Al  Al37  1  0.005433  0.395520  0.638289  1
  Al  Al38  1  0.005433  0.817256  0.690601  1
  Al  Al39  1  0.505433  0.279452  0.622118  1
  Al  Al40  1  0.505433  0.700180  0.671844  1
  Al  Al41  1  0.505433  0.513217  0.651615  1
  Al  Al42  1  0.505433  0.935611  0.705183  1
  Al  Al43  1  0.005433  0.682869  0.607600  1
  Al  Al44  1  1.005433  0.105967  0.661331  1
  Al  Al45  1  0.505433  0.421092  0.702875  1
  Al  Al46  1  0.505433  0.988992  0.648584  1
  Al  Al47  1  0.505433  0.227551  0.679477  1
  Al  Al48  1  0.505433  0.800790  0.623888  1
  Ni  Ni49  1  1.005433  0.785636  0.357055  1
  Ni  Ni50  1  1.005433  0.355127  0.304826  1
  Ni  Ni51  1  1.005433  0.927878  0.342898  1
  Ni  Ni52  1  1.005433  0.504565  0.290269  1
  Ni  Ni53  1  1.005433  0.721934  0.316586  1
  Ni  Ni54  1  1.005433  0.142943  0.370621  1
  Ni  Ni55  1  0.505433  0.827393  0.326349  1
  Ni  Ni56  1  0.505433  0.250375  0.381423  1
  Ni  Ni57  1  0.505433  0.923913  0.279268  1
  Ni  Ni58  1  0.505433  0.318493  0.330258  1
  Ni  Ni59  1  1.005433  0.074627  0.329340  1
  Ni  Ni60  1  1.005433  0.642514  0.281910  1
  Ni  Ni61  1  1.005433  0.641711  0.370312  1
  Ni  Ni62  1  1.005433  0.212573  0.313940  1
  Ni  Ni63  1  1.005433  1.006688  0.290784  1
  Ni  Ni64  1  1.005433  0.432030  0.341931  1
  Ni  Ni65  1  0.505433  0.109652  0.299320  1
  Ni  Ni66  1  0.505433  0.538296  0.353571  1
  Ni  Ni67  1  0.505433  0.036436  0.360337  1
  Ni  Ni68  1  0.505433  0.600363  0.302192  1
  Ni  Ni69  1  1.005433  0.628774  0.467947  1
  Ni  Ni70  1  1.005433  0.208122  0.412706  1
  Ni  Ni71  1  1.005433  0.773837  0.454256  1
  Ni  Ni72  1  1.005433  0.351084  0.397343  1
  Ni  Ni73  1  1.005433  0.563009  0.425805  1
  Ni  Ni74  1  1.005433  0.985121  0.482779  1
  Ni  Ni75  1  0.505433  0.671336  0.437993  1
  Ni  Ni76  1  0.505433  0.093950  0.495087  1
  Ni  Ni77  1  0.505433  0.744132  0.386341  1
  Ni  Ni78  1  0.505433  0.166386  0.443229  1
  Ni  Ni79  1  1.005433  0.919053  0.440732  1
  Ni  Ni80  1  1.005433  0.496170  0.383950  1
  Ni  Ni81  1  1.005433  0.483679  0.481558  1
  Ni  Ni82  1  1.005433  0.064027  0.427033  1
  Ni  Ni83  1  1.005433  0.853181  0.398639  1
  Ni  Ni84  1  1.005433  0.274170  0.454453  1
  Ni  Ni85  1  0.505433  0.961784  0.410764  1
  Ni  Ni86  1  0.505433  0.381815  0.465597  1
  Ni  Ni87  1  0.505433  0.876497  0.470509  1
  Ni  Ni88  1  0.505433  0.453990  0.413499  1
  Ni  Ni89  1  0.005433  0.472109  0.579681  1
  Ni  Ni90  1  1.005433  0.051497  0.524842  1
  Ni  Ni91  1  0.005433  0.616346  0.565565  1
  Ni  Ni92  1  1.005433  0.196699  0.511257  1
  Ni  Ni93  1  1.005433  0.405749  0.538144  1
  Ni  Ni94  1  0.005433  0.828169  0.594509  1
  Ni  Ni95  1  0.505433  0.513583  0.549305  1
  Ni  Ni96  1  0.505433  0.936298  0.606250  1
  Ni  Ni97  1  0.505433  0.586462  0.497740  1
  Ni  Ni98  1  0.505433  0.008980  0.554517  1
  Ni  Ni99  1  0.005433  0.761381  0.552146  1
  Ni  Ni100  1  1.005433  0.340051  0.496322  1
  Ni  Ni101  1  1.005433  0.329906  0.595694  1
  Ni  Ni102  1  1.005433  0.905872  0.538227  1
  Ni  Ni103  1  1.005433  0.695271  0.509984  1
  Ni  Ni104  1  1.005433  0.117503  0.567049  1
  Ni  Ni105  1  0.505433  0.803809  0.522131  1
  Ni  Ni106  1  0.505433  0.226584  0.579635  1
  Ni  Ni107  1  0.505433  0.718771  0.581979  1
  Ni  Ni108  1  0.505433  0.298325  0.527152  1
  Ni  Ni109  1  0.005433  0.328522  0.687651  1
  Ni  Ni110  1  0.005433  0.895411  0.637438  1
  Ni  Ni111  1  0.005433  0.472507  0.678782  1
  Ni  Ni112  1  1.005433  0.036004  0.621560  1
  Ni  Ni113  1  1.005433  0.250843  0.651161  1
  Ni  Ni114  1  0.005433  0.668472  0.700458  1
  Ni  Ni115  1  0.505433  0.362988  0.662817  1
  Ni  Ni116  1  0.505433  0.756413  0.712034  1
  Ni  Ni117  1  0.505433  0.430210  0.611325  1
  Ni  Ni118  1  0.505433  0.854541  0.666418  1
  Ni  Ni119  1  0.005433  0.607156  0.661341  1
  Ni  Ni120  1  1.005433  0.184093  0.609257  1
  Ni  Ni121  1  1.005433  0.165270  0.700796  1
  Ni  Ni122  1  0.005433  0.752174  0.649165  1
  Ni  Ni123  1  0.005433  0.536936  0.621469  1
  Ni  Ni124  1  0.005433  0.966128  0.677904  1
  Ni  Ni125  1  0.505433  0.643813  0.631665  1
  Ni  Ni126  1  0.505433  0.074728  0.688251  1
  Ni  Ni127  1  0.505433  0.571687  0.692913  1
  Ni  Ni128  1  0.505433  0.143811  0.638416  1
