# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.67217250
_cell_length_b   7.23162731
_cell_length_c   49.27250492
_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   'Al42 Ni70'
_cell_volume   2733.75151201
_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  0.497761  0.046520  0.271437  1
  Al  Al2  1  0.769199  0.201682  0.307138  1
  Al  Al3  1  0.226322  0.201682  0.307138  1
  Al  Al4  1  0.997761  0.711990  0.304238  1
  Al  Al5  1  0.280012  0.561271  0.274322  1
  Al  Al6  1  0.715510  0.561271  0.274322  1
  Al  Al7  1  0.497761  0.329390  0.341228  1
  Al  Al8  1  0.773841  0.484692  0.372579  1
  Al  Al9  1  0.221680  0.484692  0.372579  1
  Al  Al10  1  0.997761  0.967990  0.374434  1
  Al  Al11  1  0.274084  0.843071  0.339974  1
  Al  Al12  1  0.721437  0.843071  0.339974  1
  Al  Al13  1  0.497761  0.625993  0.405938  1
  Al  Al14  1  0.772282  0.764437  0.439954  1
  Al  Al15  1  0.223240  0.764437  0.439954  1
  Al  Al16  1  0.997761  0.275996  0.438624  1
  Al  Al17  1  0.271326  0.123686  0.406535  1
  Al  Al18  1  0.724195  0.123686  0.406535  1
  Al  Al19  1  0.497761  0.910705  0.472923  1
  Al  Al20  1  0.773464  0.047098  0.506967  1
  Al  Al21  1  0.222058  0.047098  0.506967  1
  Al  Al22  1  0.997761  0.540542  0.507727  1
  Al  Al23  1  0.273107  0.406080  0.473264  1
  Al  Al24  1  0.722415  0.406080  0.473264  1
  Al  Al25  1  0.497761  0.176964  0.541374  1
  Al  Al26  1  0.771506  0.329677  0.573580  1
  Al  Al27  1  0.224016  0.329677  0.573580  1
  Al  Al28  1  0.997761  0.828425  0.574445  1
  Al  Al29  1  0.271694  0.688193  0.540762  1
  Al  Al30  1  0.723827  0.688193  0.540762  1
  Al  Al31  1  0.497761  0.481556  0.605589  1
  Al  Al32  1  0.778236  0.606790  0.641996  1
  Al  Al33  1  0.217285  0.606790  0.641996  1
  Al  Al34  1  0.997761  0.134172  0.639785  1
  Al  Al35  1  0.271261  0.970757  0.607499  1
  Al  Al36  1  0.724260  0.970757  0.607499  1
  Al  Al37  1  0.497761  0.750909  0.672806  1
  Al  Al38  1  0.763340  0.893678  0.706682  1
  Al  Al39  1  0.232181  0.893678  0.706682  1
  Al  Al40  1  0.997761  0.363160  0.713508  1
  Al  Al41  1  0.272385  0.252067  0.672305  1
  Al  Al42  1  0.723136  0.252067  0.672305  1
  Ni  Ni43  1  0.497761  0.700285  0.306149  1
  Ni  Ni44  1  0.250102  0.524797  0.322404  1
  Ni  Ni45  1  0.745419  0.524797  0.322404  1
  Ni  Ni46  1  0.497761  0.362730  0.293801  1
  Ni  Ni47  1  0.497761  0.030459  0.319360  1
  Ni  Ni48  1  0.997761  0.047221  0.280489  1
  Ni  Ni49  1  0.739490  0.882607  0.291675  1
  Ni  Ni50  1  0.256032  0.882607  0.291675  1
  Ni  Ni51  1  0.997761  1.010966  0.326342  1
  Ni  Ni52  1  0.997761  0.394746  0.289860  1
  Ni  Ni53  1  0.497761  0.990025  0.372225  1
  Ni  Ni54  1  0.252695  0.803158  0.389924  1
  Ni  Ni55  1  0.742826  0.803158  0.389924  1
  Ni  Ni56  1  0.497761  0.644784  0.356796  1
  Ni  Ni57  1  0.497761  0.317979  0.389620  1
  Ni  Ni58  1  0.997761  0.346984  0.338040  1
  Ni  Ni59  1  0.758499  0.161115  0.356695  1
  Ni  Ni60  1  0.237022  0.161115  0.356695  1
  Ni  Ni61  1  0.997761  0.284578  0.389545  1
  Ni  Ni62  1  0.997761  0.672666  0.352506  1
  Ni  Ni63  1  0.497761  0.259906  0.440586  1
  Ni  Ni64  1  0.241082  0.086321  0.456609  1
  Ni  Ni65  1  0.754439  0.086321  0.456609  1
  Ni  Ni66  1  0.497761  0.931128  0.424124  1
  Ni  Ni67  1  0.497761  0.599835  0.454774  1
  Ni  Ni68  1  0.997761  0.624486  0.406248  1
  Ni  Ni69  1  0.742579  0.445797  0.422865  1
  Ni  Ni70  1  0.252942  0.445797  0.422865  1
  Ni  Ni71  1  0.997761  0.575514  0.458991  1
  Ni  Ni72  1  0.997761  0.961312  0.423117  1
  Ni  Ni73  1  0.497761  0.550261  0.506360  1
  Ni  Ni74  1  0.255213  0.367000  0.523605  1
  Ni  Ni75  1  0.740309  0.367000  0.523605  1
  Ni  Ni76  1  0.497761  0.215506  0.492690  1
  Ni  Ni77  1  0.497761  0.876194  0.521562  1
  Ni  Ni78  1  0.997761  0.903058  0.473949  1
  Ni  Ni79  1  0.748269  0.726061  0.490342  1
  Ni  Ni80  1  0.247252  0.726061  0.490342  1
  Ni  Ni81  1  0.997761  0.852650  0.525525  1
  Ni  Ni82  1  0.997761  0.237631  0.487359  1
  Ni  Ni83  1  0.497761  0.827819  0.573978  1
  Ni  Ni84  1  0.241698  0.649219  0.591337  1
  Ni  Ni85  1  0.753824  0.649219  0.591337  1
  Ni  Ni86  1  0.497761  0.490684  0.556992  1
  Ni  Ni87  1  0.497761  0.165665  0.590268  1
  Ni  Ni88  1  0.997761  0.194252  0.539621  1
  Ni  Ni89  1  0.752984  1.008036  0.557267  1
  Ni  Ni90  1  0.242537  1.008036  0.557267  1
  Ni  Ni91  1  0.997761  0.137118  0.591043  1
  Ni  Ni92  1  0.997761  0.522768  0.556620  1
  Ni  Ni93  1  0.497761  0.100900  0.641881  1
  Ni  Ni94  1  0.239340  0.932951  0.657413  1
  Ni  Ni95  1  0.756182  0.932951  0.657413  1
  Ni  Ni96  1  0.497761  0.778380  0.625062  1
  Ni  Ni97  1  0.497761  0.443119  0.653768  1
  Ni  Ni98  1  0.997761  0.463074  0.608792  1
  Ni  Ni99  1  0.735333  0.293169  0.623031  1
  Ni  Ni100  1  0.260188  0.293169  0.623031  1
  Ni  Ni101  1  0.997761  0.426023  0.665945  1
  Ni  Ni102  1  0.997761  0.813069  0.623730  1
  Ni  Ni103  1  0.497761  0.402176  0.701172  1
  Ni  Ni104  1  0.283674  0.219914  0.719597  1
  Ni  Ni105  1  0.711847  0.219914  0.719597  1
  Ni  Ni106  1  0.497761  0.061885  0.693241  1
  Ni  Ni107  1  0.497761  0.698377  0.719148  1
  Ni  Ni108  1  0.997761  0.759125  0.673840  1
  Ni  Ni109  1  0.756353  0.562819  0.693407  1
  Ni  Ni110  1  0.239169  0.562819  0.693407  1
  Ni  Ni111  1  0.997761  0.687198  0.718130  1
  Ni  Ni112  1  0.997761  0.080462  0.688159  1
