# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.74376111
_cell_length_b   7.24638716
_cell_length_c   53.28163009
_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   'Al72 Ni24'
_cell_volume   2989.8609027
_cell_formula_units_Z   24
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  0.751373  0.466217  0.289881  1
  Al  Al2  1  0.528006  0.182756  0.308960  1
  Al  Al3  1  0.974740  0.182756  0.308960  1
  Al  Al4  1  0.448227  0.305171  0.260988  1
  Al  Al5  1  0.551578  0.802545  0.293006  1
  Al  Al6  1  0.042085  0.912576  0.245371  1
  Al  Al7  1  0.951168  0.802545  0.293006  1
  Al  Al8  1  0.460662  0.912576  0.245371  1
  Al  Al9  1  0.054520  0.305171  0.260988  1
  Al  Al10  1  0.751373  0.082931  0.270252  1
  Al  Al11  1  0.251373  0.636280  0.269236  1
  Al  Al12  1  0.251373  1.020150  0.286492  1
  Al  Al13  1  0.751373  0.067393  0.365607  1
  Al  Al14  1  0.525380  0.785421  0.386922  1
  Al  Al15  1  0.977367  0.785421  0.386922  1
  Al  Al16  1  0.452932  0.907996  0.340144  1
  Al  Al17  1  0.551321  0.406345  0.369836  1
  Al  Al18  1  0.027377  0.521799  0.322875  1
  Al  Al19  1  0.951425  0.406345  0.369836  1
  Al  Al20  1  0.475370  0.521799  0.322875  1
  Al  Al21  1  0.049815  0.907996  0.340144  1
  Al  Al22  1  0.751373  0.683254  0.347663  1
  Al  Al23  1  0.251373  0.241892  0.344046  1
  Al  Al24  1  0.251373  0.626572  0.361598  1
  Al  Al25  1  0.751373  0.671255  0.442610  1
  Al  Al26  1  0.525125  0.388953  0.464085  1
  Al  Al27  1  0.977621  0.388953  0.464085  1
  Al  Al28  1  0.451356  0.507353  0.417154  1
  Al  Al29  1  0.551159  1.009370  0.446895  1
  Al  Al30  1  0.025148  0.127542  0.399962  1
  Al  Al31  1  0.951587  1.009370  0.446895  1
  Al  Al32  1  0.477599  0.127542  0.399962  1
  Al  Al33  1  0.051391  0.507353  0.417154  1
  Al  Al34  1  0.751373  0.287226  0.425339  1
  Al  Al35  1  0.251373  0.845394  0.421460  1
  Al  Al36  1  0.251373  0.229352  0.438696  1
  Al  Al37  1  0.751373  0.274605  0.519711  1
  Al  Al38  1  0.525148  0.992457  0.541209  1
  Al  Al39  1  0.977599  0.992457  0.541209  1
  Al  Al40  1  0.451587  0.110629  0.494276  1
  Al  Al41  1  0.551391  0.612646  0.524017  1
  Al  Al42  1  0.025125  0.731046  0.477086  1
  Al  Al43  1  0.951356  0.612646  0.524017  1
  Al  Al44  1  0.477621  0.731046  0.477086  1
  Al  Al45  1  0.051159  0.110629  0.494276  1
  Al  Al46  1  0.751373  0.890647  0.502475  1
  Al  Al47  1  0.251373  0.448744  0.498562  1
  Al  Al48  1  0.251373  0.832773  0.515832  1
  Al  Al49  1  0.751373  0.878107  0.597125  1
  Al  Al50  1  0.527377  0.598200  0.618296  1
  Al  Al51  1  0.975370  0.598200  0.618296  1
  Al  Al52  1  0.451425  0.713654  0.571335  1
  Al  Al53  1  0.549815  0.212003  0.601028  1
  Al  Al54  1  0.025380  0.334578  0.554250  1
  Al  Al55  1  0.952932  0.212003  0.601028  1
  Al  Al56  1  0.477367  0.334578  0.554250  1
  Al  Al57  1  0.051321  0.713654  0.571335  1
  Al  Al58  1  0.751373  0.493427  0.579573  1
  Al  Al59  1  0.251373  0.052606  0.575564  1
  Al  Al60  1  0.251373  0.436745  0.593508  1
  Al  Al61  1  0.751373  0.483719  0.671935  1
  Al  Al62  1  0.542085  0.207423  0.695800  1
  Al  Al63  1  0.960662  0.207423  0.695800  1
  Al  Al64  1  0.451168  0.317454  0.648165  1
  Al  Al65  1  0.554520  0.814828  0.680183  1
  Al  Al66  1  0.028006  0.937243  0.632211  1
  Al  Al67  1  0.948227  0.814828  0.680183  1
  Al  Al68  1  0.474740  0.937243  0.632211  1
  Al  Al69  1  0.051578  0.317454  0.648165  1
  Al  Al70  1  0.751373  0.099849  0.654679  1
  Al  Al71  1  0.251373  0.653782  0.651290  1
  Al  Al72  1  0.251373  1.037068  0.670920  1
  Ni  Ni73  1  0.751373  0.739985  0.257047  1
  Ni  Ni74  1  0.751373  0.393586  0.245552  1
  Ni  Ni75  1  0.251373  0.358052  0.298299  1
  Ni  Ni76  1  0.251373  0.735052  0.312784  1
  Ni  Ni77  1  0.751373  0.340509  0.334343  1
  Ni  Ni78  1  0.751373  0.972919  0.321157  1
  Ni  Ni79  1  0.251373  0.967299  0.375721  1
  Ni  Ni80  1  0.251373  0.338135  0.388489  1
  Ni  Ni81  1  0.751373  0.946178  0.411239  1
  Ni  Ni82  1  0.751373  0.575136  0.398383  1
  Ni  Ni83  1  0.251373  0.570265  0.452860  1
  Ni  Ni84  1  0.251373  0.941637  0.465706  1
  Ni  Ni85  1  0.751373  0.549734  0.488311  1
  Ni  Ni86  1  0.751373  0.178362  0.475466  1
  Ni  Ni87  1  0.251373  0.173821  0.529933  1
  Ni  Ni88  1  0.251373  0.544863  0.542788  1
  Ni  Ni89  1  0.751373  0.152700  0.565450  1
  Ni  Ni90  1  0.751373  0.781864  0.552682  1
  Ni  Ni91  1  0.251373  0.779490  0.606828  1
  Ni  Ni92  1  0.251373  0.147080  0.620014  1
  Ni  Ni93  1  0.751373  0.761947  0.642873  1
  Ni  Ni94  1  0.751373  0.384947  0.628387  1
  Ni  Ni95  1  0.251373  0.380014  0.684125  1
  Ni  Ni96  1  0.251373  0.726413  0.695619  1
