# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.79127750
_cell_length_b   9.75934591
_cell_length_c   48.10135117
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   70.37431290
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al60 Ni100'
_cell_volume   4329.37650415
_cell_formula_units_Z   20
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  0.473370  0.964022  0.344890  1
  Al  Al2  1  0.591820  0.566156  0.303136  1
  Al  Al3  1  0.875989  0.340644  0.303414  1
  Al  Al4  1  0.720224  0.717835  0.346286  1
  Al  Al5  1  0.197912  0.229193  0.340399  1
  Al  Al6  1  0.083046  0.592697  0.383845  1
  Al  Al7  1  0.973370  0.964022  0.344890  1
  Al  Al8  1  0.091820  0.566156  0.303136  1
  Al  Al9  1  0.375989  0.340644  0.303414  1
  Al  Al10  1  0.220224  0.717835  0.346286  1
  Al  Al11  1  0.697912  0.229193  0.340399  1
  Al  Al12  1  0.583046  0.592697  0.383845  1
  Al  Al13  1  0.216609  0.713963  0.427378  1
  Al  Al14  1  0.336406  0.339976  0.386758  1
  Al  Al15  1  0.596626  0.086235  0.385647  1
  Al  Al16  1  0.470649  0.462088  0.428092  1
  Al  Al17  1  0.954355  0.968693  0.426415  1
  Al  Al18  1  0.832581  0.340620  0.468367  1
  Al  Al19  1  0.716609  0.713963  0.427378  1
  Al  Al20  1  0.836406  0.339976  0.386758  1
  Al  Al21  1  0.096626  0.086235  0.385647  1
  Al  Al22  1  0.970649  0.462088  0.428092  1
  Al  Al23  1  0.454355  0.968693  0.426415  1
  Al  Al24  1  0.332581  0.340620  0.468367  1
  Al  Al25  1  0.964702  0.463312  0.510695  1
  Al  Al26  1  0.088293  0.087823  0.469352  1
  Al  Al27  1  0.344960  0.836224  0.469647  1
  Al  Al28  1  0.220664  0.210302  0.511720  1
  Al  Al29  1  0.703970  0.716272  0.510308  1
  Al  Al30  1  0.581206  0.089323  0.552158  1
  Al  Al31  1  0.464702  0.463312  0.510695  1
  Al  Al32  1  0.588293  0.087823  0.469352  1
  Al  Al33  1  0.844960  0.836224  0.469647  1
  Al  Al34  1  0.720664  0.210302  0.511720  1
  Al  Al35  1  0.203970  0.716272  0.510308  1
  Al  Al36  1  0.081206  0.089323  0.552158  1
  Al  Al37  1  0.717169  0.210888  0.593982  1
  Al  Al38  1  0.832910  0.837398  0.553269  1
  Al  Al39  1  0.094109  0.584856  0.553270  1
  Al  Al40  1  0.965638  0.960332  0.596566  1
  Al  Al41  1  0.453897  0.464022  0.593598  1
  Al  Al42  1  0.331433  0.836165  0.634991  1
  Al  Al43  1  0.217169  0.210888  0.593982  1
  Al  Al44  1  0.332910  0.837398  0.553269  1
  Al  Al45  1  0.594109  0.584856  0.553270  1
  Al  Al46  1  0.465638  0.960332  0.596566  1
  Al  Al47  1  0.953897  0.464022  0.593598  1
  Al  Al48  1  0.831433  0.836165  0.634991  1
  Al  Al49  1  0.475433  0.957254  0.677655  1
  Al  Al50  1  0.582243  0.582591  0.635614  1
  Al  Al51  1  0.844240  0.329807  0.637127  1
  Al  Al52  1  0.719209  0.695916  0.681570  1
  Al  Al53  1  0.166480  0.215370  0.678242  1
  Al  Al54  1  0.046504  0.557434  0.714895  1
  Al  Al55  1  0.975433  0.957254  0.677655  1
  Al  Al56  1  0.082243  0.582591  0.635614  1
  Al  Al57  1  0.344240  0.329807  0.637127  1
  Al  Al58  1  0.219209  0.695916  0.681570  1
  Al  Al59  1  0.666480  0.215370  0.678242  1
  Al  Al60  1  0.546504  0.557434  0.714895  1
  Ni  Ni61  1  0.585998  0.101788  0.304719  1
  Ni  Ni62  1  0.474982  0.466338  0.342920  1
  Ni  Ni63  1  0.346790  0.078409  0.303770  1
  Ni  Ni64  1  0.228241  0.465396  0.344411  1
  Ni  Ni65  1  0.724948  0.965103  0.342873  1
  Ni  Ni66  1  0.830199  0.609497  0.304183  1
  Ni  Ni67  1  0.455092  0.217155  0.346292  1
  Ni  Ni68  1  0.594905  0.836285  0.304074  1
  Ni  Ni69  1  0.338247  0.093357  0.384001  1
  Ni  Ni70  1  0.464974  0.720731  0.341714  1
  Ni  Ni71  1  0.085998  0.101788  0.304719  1
  Ni  Ni72  1  0.974982  0.466338  0.342920  1
  Ni  Ni73  1  0.846790  0.078409  0.303770  1
  Ni  Ni74  1  0.728241  0.465396  0.344411  1
  Ni  Ni75  1  0.224948  0.965103  0.342873  1
  Ni  Ni76  1  0.330199  0.609497  0.304183  1
  Ni  Ni77  1  0.955092  0.217155  0.346292  1
  Ni  Ni78  1  0.094905  0.836285  0.304074  1
  Ni  Ni79  1  0.838247  0.093357  0.384001  1
  Ni  Ni80  1  0.964974  0.720731  0.341714  1
  Ni  Ni81  1  0.339945  0.839746  0.385194  1
  Ni  Ni82  1  0.215830  0.214987  0.426874  1
  Ni  Ni83  1  0.089310  0.839628  0.386784  1
  Ni  Ni84  1  0.966959  0.213222  0.427501  1
  Ni  Ni85  1  0.466456  0.714104  0.426990  1
  Ni  Ni86  1  0.587564  0.339291  0.385147  1
  Ni  Ni87  1  0.210109  0.963962  0.427663  1
  Ni  Ni88  1  0.340317  0.585751  0.386089  1
  Ni  Ni89  1  0.089833  0.839769  0.468361  1
  Ni  Ni90  1  0.213723  0.468279  0.427178  1
  Ni  Ni91  1  0.839945  0.839746  0.385194  1
  Ni  Ni92  1  0.715830  0.214987  0.426874  1
  Ni  Ni93  1  0.589310  0.839628  0.386784  1
  Ni  Ni94  1  0.466959  0.213222  0.427501  1
  Ni  Ni95  1  0.966456  0.714104  0.426990  1
  Ni  Ni96  1  0.087564  0.339291  0.385147  1
  Ni  Ni97  1  0.710109  0.963962  0.427663  1
  Ni  Ni98  1  0.840317  0.585751  0.386089  1
  Ni  Ni99  1  0.589833  0.839769  0.468361  1
  Ni  Ni100  1  0.713723  0.468279  0.427178  1
  Ni  Ni101  1  0.086685  0.588936  0.469493  1
  Ni  Ni102  1  0.963842  0.963563  0.510649  1
  Ni  Ni103  1  0.837086  0.588787  0.469301  1
  Ni  Ni104  1  0.714032  0.962661  0.511005  1
  Ni  Ni105  1  0.215107  0.462302  0.511044  1
  Ni  Ni106  1  0.337653  0.089016  0.469016  1
  Ni  Ni107  1  0.958405  0.713557  0.511703  1
  Ni  Ni108  1  0.088025  0.336078  0.469484  1
  Ni  Ni109  1  0.839304  0.587414  0.551900  1
  Ni  Ni110  1  0.965382  0.214993  0.510539  1
  Ni  Ni111  1  0.586685  0.588936  0.469493  1
  Ni  Ni112  1  0.463842  0.963563  0.510649  1
  Ni  Ni113  1  0.337086  0.588787  0.469301  1
  Ni  Ni114  1  0.214032  0.962661  0.511005  1
  Ni  Ni115  1  0.715107  0.462302  0.511044  1
  Ni  Ni116  1  0.837653  0.089016  0.469016  1
  Ni  Ni117  1  0.458405  0.713557  0.511703  1
  Ni  Ni118  1  0.588025  0.336078  0.469484  1
  Ni  Ni119  1  0.339304  0.587414  0.551900  1
  Ni  Ni120  1  0.465382  0.214993  0.510539  1
  Ni  Ni121  1  0.838675  0.335120  0.553101  1
  Ni  Ni122  1  0.712213  0.712494  0.594021  1
  Ni  Ni123  1  0.587839  0.337222  0.552614  1
  Ni  Ni124  1  0.462706  0.711281  0.594063  1
  Ni  Ni125  1  0.967289  0.209762  0.595064  1
  Ni  Ni126  1  0.082258  0.838961  0.553042  1
  Ni  Ni127  1  0.709920  0.460330  0.594928  1
  Ni  Ni128  1  0.837560  0.083062  0.553181  1
  Ni  Ni129  1  0.589727  0.333746  0.634231  1
  Ni  Ni130  1  0.709091  0.966370  0.594895  1
  Ni  Ni131  1  0.338675  0.335120  0.553101  1
  Ni  Ni132  1  0.212213  0.712494  0.594021  1
  Ni  Ni133  1  0.087839  0.337222  0.552614  1
  Ni  Ni134  1  0.962706  0.711281  0.594063  1
  Ni  Ni135  1  0.467289  0.209762  0.595064  1
  Ni  Ni136  1  0.582258  0.838961  0.553042  1
  Ni  Ni137  1  0.209920  0.460330  0.594928  1
  Ni  Ni138  1  0.337560  0.083062  0.553181  1
  Ni  Ni139  1  0.089727  0.333746  0.634231  1
  Ni  Ni140  1  0.209091  0.966370  0.594895  1
  Ni  Ni141  1  0.575149  0.084120  0.638746  1
  Ni  Ni142  1  0.452482  0.457465  0.675526  1
  Ni  Ni143  1  0.324017  0.087800  0.637983  1
  Ni  Ni144  1  0.204141  0.453336  0.676359  1
  Ni  Ni145  1  0.726464  0.946638  0.678082  1
  Ni  Ni146  1  0.829442  0.587342  0.635935  1
  Ni  Ni147  1  0.418869  0.216370  0.681885  1
  Ni  Ni148  1  0.590183  0.826029  0.637165  1
  Ni  Ni149  1  0.316500  0.071089  0.715711  1
  Ni  Ni150  1  0.460326  0.711977  0.675623  1
  Ni  Ni151  1  0.075149  0.084120  0.638746  1
  Ni  Ni152  1  0.952482  0.457465  0.675526  1
  Ni  Ni153  1  0.824017  0.087800  0.637983  1
  Ni  Ni154  1  0.704141  0.453336  0.676359  1
  Ni  Ni155  1  0.226464  0.946638  0.678082  1
  Ni  Ni156  1  0.329442  0.587342  0.635935  1
  Ni  Ni157  1  0.918869  0.216370  0.681885  1
  Ni  Ni158  1  0.090183  0.826029  0.637165  1
  Ni  Ni159  1  0.816500  0.071089  0.715711  1
  Ni  Ni160  1  0.960326  0.711977  0.675623  1
