# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28773785
_cell_length_b   10.55106621
_cell_length_c   57.82814742
_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   3226.30591219
_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  1.093384  0.240508  0.200055  1
  Al  Al2  1  1.093384  0.482136  0.256102  1
  Al  Al3  1  1.093384  0.738129  0.255309  1
  Al  Al4  1  1.093384  0.988838  0.310798  1
  Al  Al5  1  1.093384  0.972314  0.200822  1
  Al  Al6  1  1.093384  0.221593  0.255916  1
  Al  Al7  1  0.593384  0.982136  0.256102  1
  Al  Al8  1  0.593384  0.740508  0.200055  1
  Al  Al9  1  0.593384  0.488838  0.310798  1
  Al  Al10  1  0.593384  0.238129  0.255309  1
  Al  Al11  1  0.593384  0.721593  0.255916  1
  Al  Al12  1  0.593384  0.472314  0.200822  1
  Al  Al13  1  1.093384  0.731039  0.311172  1
  Al  Al14  1  1.093384  0.980506  0.366705  1
  Al  Al15  1  1.093384  0.238739  0.366299  1
  Al  Al16  1  1.093384  0.488436  0.421835  1
  Al  Al17  1  1.093384  0.472025  0.311468  1
  Al  Al18  1  1.093384  0.721905  0.367093  1
  Al  Al19  1  0.593384  0.480506  0.366705  1
  Al  Al20  1  0.593384  0.231039  0.311172  1
  Al  Al21  1  0.593384  0.988436  0.421835  1
  Al  Al22  1  0.593384  0.738739  0.366299  1
  Al  Al23  1  0.593384  0.221905  0.367093  1
  Al  Al24  1  0.593384  0.972025  0.311468  1
  Al  Al25  1  1.093384  0.230069  0.422249  1
  Al  Al26  1  1.093384  0.479691  0.477812  1
  Al  Al27  1  1.093384  0.738059  0.477361  1
  Al  Al28  1  1.093384  0.987742  0.532905  1
  Al  Al29  1  1.093384  0.971579  0.422636  1
  Al  Al30  1  1.093384  0.221223  0.478151  1
  Al  Al31  1  0.593384  0.979691  0.477812  1
  Al  Al32  1  0.593384  0.730069  0.422249  1
  Al  Al33  1  0.593384  0.487742  0.532905  1
  Al  Al34  1  0.593384  0.238059  0.477361  1
  Al  Al35  1  0.593384  0.721223  0.478151  1
  Al  Al36  1  0.593384  0.471579  0.422636  1
  Al  Al37  1  1.093384  0.729429  0.533440  1
  Al  Al38  1  1.093384  0.979979  0.588641  1
  Al  Al39  1  1.093384  0.238162  0.587927  1
  Al  Al40  1  1.093384  0.479002  0.642141  1
  Al  Al41  1  1.093384  0.470854  0.533526  1
  Al  Al42  1  1.093384  0.719918  0.588428  1
  Al  Al43  1  0.593384  0.479979  0.588641  1
  Al  Al44  1  0.593384  0.229429  0.533440  1
  Al  Al45  1  0.593384  0.979002  0.642141  1
  Al  Al46  1  0.593384  0.738162  0.587927  1
  Al  Al47  1  0.593384  0.219918  0.588428  1
  Al  Al48  1  0.593384  0.970854  0.533526  1
  Ni  Ni49  1  0.593384  0.235351  0.199935  1
  Ni  Ni50  1  0.593384  0.482802  0.255453  1
  Ni  Ni51  1  0.348663  0.104790  0.227380  1
  Ni  Ni52  1  0.344035  0.355741  0.283238  1
  Ni  Ni53  1  0.342734  0.855741  0.283238  1
  Ni  Ni54  1  0.338106  0.604790  0.227380  1
  Ni  Ni55  1  0.337518  0.606149  0.283581  1
  Ni  Ni56  1  0.335075  0.357355  0.228632  1
  Ni  Ni57  1  0.849250  0.606149  0.283581  1
  Ni  Ni58  1  0.851694  0.357355  0.228632  1
  Ni  Ni59  1  1.093384  0.982802  0.255453  1
  Ni  Ni60  1  1.093384  0.735351  0.199935  1
  Ni  Ni61  1  0.844035  0.855741  0.283238  1
  Ni  Ni62  1  0.848663  0.604790  0.227380  1
  Ni  Ni63  1  0.838106  0.104790  0.227380  1
  Ni  Ni64  1  0.842734  0.355741  0.283238  1
  Ni  Ni65  1  0.835075  0.857355  0.228632  1
  Ni  Ni66  1  0.837518  0.106149  0.283581  1
  Ni  Ni67  1  0.351694  0.857355  0.228632  1
  Ni  Ni68  1  0.349250  0.106149  0.283581  1
  Ni  Ni69  1  0.593384  0.731244  0.311202  1
  Ni  Ni70  1  0.593384  0.980512  0.366723  1
  Ni  Ni71  1  0.343243  0.605528  0.338887  1
  Ni  Ni72  1  0.343361  0.855193  0.394461  1
  Ni  Ni73  1  0.343408  0.355193  0.394461  1
  Ni  Ni74  1  0.343526  0.105528  0.338887  1
  Ni  Ni75  1  0.336584  0.105250  0.394487  1
  Ni  Ni76  1  0.336678  0.855653  0.338977  1
  Ni  Ni77  1  0.850185  0.105250  0.394487  1
  Ni  Ni78  1  0.850091  0.855653  0.338977  1
  Ni  Ni79  1  1.093384  0.480512  0.366723  1
  Ni  Ni80  1  1.093384  0.231244  0.311202  1
  Ni  Ni81  1  0.843361  0.355193  0.394461  1
  Ni  Ni82  1  0.843243  0.105528  0.338887  1
  Ni  Ni83  1  0.843526  0.605528  0.338887  1
  Ni  Ni84  1  0.843408  0.855193  0.394461  1
  Ni  Ni85  1  0.836678  0.355653  0.338977  1
  Ni  Ni86  1  0.836584  0.605250  0.394487  1
  Ni  Ni87  1  0.350091  0.355653  0.338977  1
  Ni  Ni88  1  0.350185  0.605250  0.394487  1
  Ni  Ni89  1  0.593384  0.230072  0.422252  1
  Ni  Ni90  1  0.593384  0.479694  0.477804  1
  Ni  Ni91  1  0.343397  0.104794  0.450005  1
  Ni  Ni92  1  0.343502  0.354227  0.505551  1
  Ni  Ni93  1  0.343267  0.854227  0.505551  1
  Ni  Ni94  1  0.343372  0.604794  0.450005  1
  Ni  Ni95  1  0.336750  0.604735  0.505569  1
  Ni  Ni96  1  0.336590  0.354908  0.450019  1
  Ni  Ni97  1  0.850019  0.604735  0.505569  1
  Ni  Ni98  1  0.850179  0.354908  0.450019  1
  Ni  Ni99  1  1.093384  0.979694  0.477804  1
  Ni  Ni100  1  1.093384  0.730072  0.422252  1
  Ni  Ni101  1  0.843502  0.854227  0.505551  1
  Ni  Ni102  1  0.843397  0.604794  0.450005  1
  Ni  Ni103  1  0.843372  0.104794  0.450005  1
  Ni  Ni104  1  0.843267  0.354227  0.505551  1
  Ni  Ni105  1  0.836590  0.854908  0.450019  1
  Ni  Ni106  1  0.836750  0.104735  0.505569  1
  Ni  Ni107  1  0.350179  0.854908  0.450019  1
  Ni  Ni108  1  0.350019  0.104735  0.505569  1
  Ni  Ni109  1  0.593384  0.729272  0.533473  1
  Ni  Ni110  1  0.593384  0.977995  0.589914  1
  Ni  Ni111  1  0.342210  0.602970  0.561046  1
  Ni  Ni112  1  0.333362  0.850351  0.616873  1
  Ni  Ni113  1  0.353407  0.350351  0.616873  1
  Ni  Ni114  1  0.344558  0.102970  0.561046  1
  Ni  Ni115  1  0.333095  0.107643  0.616883  1
  Ni  Ni116  1  0.337570  0.855323  0.561060  1
  Ni  Ni117  1  0.853674  0.107643  0.616883  1
  Ni  Ni118  1  0.849199  0.855323  0.561060  1
  Ni  Ni119  1  1.093384  0.477995  0.589914  1
  Ni  Ni120  1  1.093384  0.229272  0.533473  1
  Ni  Ni121  1  0.833362  0.350351  0.616873  1
  Ni  Ni122  1  0.842210  0.102970  0.561046  1
  Ni  Ni123  1  0.844558  0.602970  0.561046  1
  Ni  Ni124  1  0.853407  0.850351  0.616873  1
  Ni  Ni125  1  0.837570  0.355323  0.561060  1
  Ni  Ni126  1  0.833095  0.607643  0.616883  1
  Ni  Ni127  1  0.349199  0.355323  0.561060  1
  Ni  Ni128  1  0.353674  0.607643  0.616883  1
