# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.30053128
_cell_length_b   16.68041984
_cell_length_c   52.20813463
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al108 Ni36'
_cell_volume   4615.98677303
_cell_formula_units_Z   36
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  0.119502  0.186285  0.387642  1
  Al  Al2  1  0.122386  0.646191  0.288814  1
  Al  Al3  1  0.124283  0.425165  0.339809  1
  Al  Al4  1  0.645437  0.321312  0.406988  1
  Al  Al5  1  0.668377  0.790019  0.295995  1
  Al  Al6  1  0.646655  0.571572  0.359378  1
  Al  Al7  1  0.645917  0.199771  0.338740  1
  Al  Al8  1  0.639392  0.949263  0.384806  1
  Al  Al9  1  0.665994  0.511810  0.277921  1
  Al  Al10  1  0.144700  0.335840  0.407970  1
  Al  Al11  1  0.196359  0.836106  0.310805  1
  Al  Al12  1  0.148695  0.585277  0.360515  1
  Al  Al13  1  0.864801  0.936589  0.289396  1
  Al  Al14  1  0.899135  0.695183  0.334301  1
  Al  Al15  1  0.879406  0.446955  0.383321  1
  Al  Al16  1  0.380813  0.076465  0.360212  1
  Al  Al17  1  0.379808  0.831078  0.404932  1
  Al  Al18  1  0.395797  0.331101  0.305262  1
  Al  Al19  1  0.877502  0.073838  0.360911  1
  Al  Al20  1  0.879775  0.826682  0.408231  1
  Al  Al21  1  0.875699  0.322114  0.311357  1
  Al  Al22  1  0.347302  0.984090  0.286355  1
  Al  Al23  1  0.393265  0.710250  0.334809  1
  Al  Al24  1  0.379490  0.460302  0.384218  1
  Al  Al25  1  0.139298  0.204713  0.337649  1
  Al  Al26  1  0.132665  0.952652  0.381121  1
  Al  Al27  1  0.112493  0.451352  0.286051  1
  Al  Al28  1  0.404317  0.312033  0.362968  1
  Al  Al29  1  0.396659  0.060669  0.410906  1
  Al  Al30  1  0.395142  0.537344  0.317870  1
  Al  Al31  1  0.908846  0.085593  0.306303  1
  Al  Al32  1  0.888035  0.844079  0.352036  1
  Al  Al33  1  0.900234  0.595779  0.403701  1
  Al  Al34  1  0.602618  0.962365  0.331369  1
  Al  Al35  1  0.627653  0.721451  0.378929  1
  Al  Al36  1  0.618312  0.193626  0.283543  1
  Al  Al37  1  0.121797  0.442305  0.528385  1
  Al  Al38  1  0.120654  0.937797  0.433914  1
  Al  Al39  1  0.122355  0.690932  0.481021  1
  Al  Al40  1  0.643561  0.577594  0.548439  1
  Al  Al41  1  0.643218  0.073021  0.454197  1
  Al  Al42  1  0.643620  0.825890  0.501302  1
  Al  Al43  1  0.644072  0.454063  0.480254  1
  Al  Al44  1  0.643068  0.204593  0.527960  1
  Al  Al45  1  0.644369  0.703050  0.432430  1
  Al  Al46  1  0.144650  0.591777  0.549116  1
  Al  Al47  1  0.142600  0.086781  0.455137  1
  Al  Al48  1  0.143546  0.839354  0.502252  1
  Al  Al49  1  0.876823  0.197016  0.430867  1
  Al  Al50  1  0.877927  0.949439  0.477731  1
  Al  Al51  1  0.878873  0.702012  0.524846  1
  Al  Al52  1  0.377401  0.334730  0.499729  1
  Al  Al53  1  0.377105  0.085742  0.547553  1
  Al  Al54  1  0.378405  0.584200  0.452023  1
  Al  Al55  1  0.877290  0.329285  0.504091  1
  Al  Al56  1  0.877777  0.080635  0.552106  1
  Al  Al57  1  0.878390  0.578729  0.456380  1
  Al  Al58  1  0.377912  0.211199  0.431544  1
  Al  Al59  1  0.377853  0.962903  0.478681  1
  Al  Al60  1  0.378255  0.715772  0.525786  1
  Al  Al61  1  0.144183  0.459508  0.475892  1
  Al  Al62  1  0.143083  0.210064  0.523603  1
  Al  Al63  1  0.143696  0.708158  0.427877  1
  Al  Al64  1  0.399882  0.566815  0.504688  1
  Al  Al65  1  0.398199  0.317816  0.552184  1
  Al  Al66  1  0.399146  0.814256  0.457497  1
  Al  Al67  1  0.899676  0.346487  0.451598  1
  Al  Al68  1  0.899118  0.097861  0.498962  1
  Al  Al69  1  0.900819  0.850996  0.546069  1
  Al  Al70  1  0.621591  0.221978  0.475295  1
  Al  Al71  1  0.622327  0.974537  0.522486  1
  Al  Al72  1  0.623274  0.470976  0.427799  1
  Al  Al73  1  0.112627  0.703199  0.673680  1
  Al  Al74  1  0.121239  0.193014  0.576282  1
  Al  Al75  1  0.133438  0.944714  0.627947  1
  Al  Al76  1  0.674171  0.804703  0.693628  1
  Al  Al77  1  0.641983  0.328491  0.595765  1
  Al  Al78  1  0.628208  0.078543  0.645174  1
  Al  Al79  1  0.640660  0.712328  0.619771  1
  Al  Al80  1  0.625676  0.457692  0.674721  1
  Al  Al81  1  0.641665  0.957715  0.575051  1
  Al  Al82  1  0.156672  0.852203  0.690587  1
  Al  Al83  1  0.142067  0.341838  0.596662  1
  Al  Al84  1  0.122338  0.093610  0.645682  1
  Al  Al85  1  0.876773  0.452953  0.572013  1
  Al  Al86  1  0.872778  0.203516  0.619468  1
  Al  Al87  1  0.825114  0.952686  0.669178  1
  Al  Al88  1  0.375556  0.589021  0.641243  1
  Al  Al89  1  0.355479  0.276983  0.702062  1
  Al  Al90  1  0.382081  0.839529  0.595177  1
  Al  Al91  1  0.882175  0.584080  0.642334  1
  Al  Al92  1  0.908980  0.337440  0.693932  1
  Al  Al93  1  0.888808  0.836141  0.598862  1
  Al  Al94  1  0.376036  0.467481  0.572995  1
  Al  Al95  1  0.374818  0.217221  0.620605  1
  Al  Al96  1  0.353096  0.998774  0.683988  1
  Al  Al97  1  0.143971  0.714955  0.619072  1
  Al  Al98  1  0.145774  0.466679  0.668626  1
  Al  Al99  1  0.141698  0.962111  0.571752  1
  Al  Al100  1  0.418855  0.826428  0.648614  1
  Al  Al101  1  0.403161  0.595167  0.696440  1
  Al  Al102  1  0.393820  0.067341  0.601054  1
  Al  Al103  1  0.901971  0.602507  0.592341  1
  Al  Al104  1  0.897190  0.363628  0.640174  1
  Al  Al105  1  0.899087  0.142601  0.691169  1
  Al  Al106  1  0.617156  0.476760  0.617015  1
  Al  Al107  1  0.626331  0.251449  0.662113  1
  Al  Al108  1  0.624814  0.728124  0.569077  1
  Ni  Ni109  1  0.634472  0.180509  0.387880  1
  Ni  Ni110  1  0.637462  0.644480  0.297961  1
  Ni  Ni111  1  0.641410  0.426076  0.339714  1
  Ni  Ni112  1  0.887472  0.307836  0.363546  1
  Ni  Ni113  1  0.884026  0.056782  0.410839  1
  Ni  Ni114  1  0.896842  0.542248  0.319160  1
  Ni  Ni115  1  0.392860  0.099135  0.313713  1
  Ni  Ni116  1  0.378409  0.848214  0.355740  1
  Ni  Ni117  1  0.390368  0.601590  0.402877  1
  Ni  Ni118  1  0.126442  0.973511  0.331638  1
  Ni  Ni119  1  0.138871  0.727302  0.377985  1
  Ni  Ni120  1  0.142261  0.206334  0.291361  1
  Ni  Ni121  1  0.633207  0.437215  0.529309  1
  Ni  Ni122  1  0.634408  0.933017  0.434541  1
  Ni  Ni123  1  0.634630  0.686020  0.481871  1
  Ni  Ni124  1  0.887690  0.561776  0.505554  1
  Ni  Ni125  1  0.886653  0.312386  0.553147  1
  Ni  Ni126  1  0.887201  0.809857  0.458104  1
  Ni  Ni127  1  0.388266  0.351577  0.450674  1
  Ni  Ni128  1  0.386843  0.102773  0.498112  1
  Ni  Ni129  1  0.387065  0.855776  0.545442  1
  Ni  Ni130  1  0.133783  0.227017  0.474429  1
  Ni  Ni131  1  0.134272  0.978936  0.521879  1
  Ni  Ni132  1  0.134820  0.476407  0.426836  1
  Ni  Ni133  1  0.628613  0.689658  0.666270  1
  Ni  Ni134  1  0.631105  0.187203  0.577106  1
  Ni  Ni135  1  0.643064  0.940579  0.624243  1
  Ni  Ni136  1  0.895031  0.815282  0.648345  1
  Ni  Ni137  1  0.879212  0.582459  0.688622  1
  Ni  Ni138  1  0.882602  0.061491  0.601998  1
  Ni  Ni139  1  0.387001  0.608284  0.592103  1
  Ni  Ni140  1  0.380063  0.362717  0.640269  1
  Ni  Ni141  1  0.384011  0.144313  0.682022  1
  Ni  Ni142  1  0.134001  0.480957  0.616437  1
  Ni  Ni143  1  0.124631  0.246545  0.660823  1
  Ni  Ni144  1  0.137447  0.732011  0.569144  1
