# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.75355959
_cell_length_b   7.22936039
_cell_length_c   53.65109588
_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   3007.31971349
_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  0.740740  0.643263  0.290172  1
  Al  Al2  1  0.515178  0.358211  0.306375  1
  Al  Al3  1  0.966301  0.358211  0.306375  1
  Al  Al4  1  0.440468  0.471919  0.260501  1
  Al  Al5  1  0.541310  0.970473  0.293521  1
  Al  Al6  1  0.019121  0.079207  0.248139  1
  Al  Al7  1  0.940169  0.970473  0.293521  1
  Al  Al8  1  0.462358  0.079207  0.248139  1
  Al  Al9  1  0.041011  0.471919  0.260501  1
  Al  Al10  1  0.740740  0.251345  0.271402  1
  Al  Al11  1  0.240740  0.804586  0.267581  1
  Al  Al12  1  0.240740  0.189567  0.286530  1
  Al  Al13  1  0.740740  0.247313  0.365675  1
  Al  Al14  1  0.512531  0.970845  0.384582  1
  Al  Al15  1  0.968948  0.970845  0.384582  1
  Al  Al16  1  0.440035  0.083247  0.337809  1
  Al  Al17  1  0.542340  0.586452  0.369513  1
  Al  Al18  1  0.013493  0.688203  0.322178  1
  Al  Al19  1  0.939140  0.586452  0.369513  1
  Al  Al20  1  0.467987  0.688203  0.322178  1
  Al  Al21  1  0.041444  0.083247  0.337809  1
  Al  Al22  1  0.740740  0.861123  0.346056  1
  Al  Al23  1  0.240740  0.415309  0.341325  1
  Al  Al24  1  0.240740  0.802742  0.360026  1
  Al  Al25  1  0.740740  0.859533  0.443091  1
  Al  Al26  1  0.511945  0.582699  0.462298  1
  Al  Al27  1  0.969534  0.582699  0.462298  1
  Al  Al28  1  0.438891  0.691335  0.415357  1
  Al  Al29  1  0.542380  0.196876  0.447137  1
  Al  Al30  1  0.012168  0.306002  0.400256  1
  Al  Al31  1  0.939100  0.196876  0.447137  1
  Al  Al32  1  0.469311  0.306002  0.400256  1
  Al  Al33  1  0.042588  0.691335  0.415357  1
  Al  Al34  1  0.740740  0.474292  0.424664  1
  Al  Al35  1  0.240740  1.028780  0.419419  1
  Al  Al36  1  0.240740  0.413979  0.437919  1
  Al  Al37  1  0.740740  0.471432  0.520652  1
  Al  Al38  1  0.512168  0.194210  0.539815  1
  Al  Al39  1  0.969311  0.194210  0.539815  1
  Al  Al40  1  0.439100  0.303336  0.492934  1
  Al  Al41  1  0.542588  0.808877  0.524714  1
  Al  Al42  1  0.011945  0.917514  0.477773  1
  Al  Al43  1  0.938891  0.808877  0.524714  1
  Al  Al44  1  0.469534  0.917514  0.477773  1
  Al  Al45  1  0.042380  0.303336  0.492934  1
  Al  Al46  1  0.740740  0.086233  0.502152  1
  Al  Al47  1  0.240740  0.640679  0.496980  1
  Al  Al48  1  0.240740  1.025920  0.515407  1
  Al  Al49  1  0.740740  0.084903  0.598746  1
  Al  Al50  1  0.513493  0.812009  0.617893  1
  Al  Al51  1  0.967987  0.812009  0.617893  1
  Al  Al52  1  0.439140  0.913760  0.570558  1
  Al  Al53  1  0.541444  0.416965  0.602262  1
  Al  Al54  1  0.012531  0.529367  0.555489  1
  Al  Al55  1  0.940035  0.416965  0.602262  1
  Al  Al56  1  0.468948  0.529367  0.555489  1
  Al  Al57  1  0.042340  0.913760  0.570558  1
  Al  Al58  1  0.740740  0.697470  0.580045  1
  Al  Al59  1  0.240740  0.252899  0.574396  1
  Al  Al60  1  0.240740  0.639089  0.594015  1
  Al  Al61  1  0.740740  0.695626  0.672490  1
  Al  Al62  1  0.519121  0.421005  0.691932  1
  Al  Al63  1  0.962358  0.421005  0.691932  1
  Al  Al64  1  0.440169  0.529739  0.646550  1
  Al  Al65  1  0.541011  1.028293  0.679570  1
  Al  Al66  1  0.015178  0.142001  0.633696  1
  Al  Al67  1  0.940468  1.028293  0.679570  1
  Al  Al68  1  0.466301  0.142001  0.633696  1
  Al  Al69  1  0.041310  0.529739  0.646550  1
  Al  Al70  1  0.740740  0.310645  0.653541  1
  Al  Al71  1  0.240740  0.856949  0.649899  1
  Al  Al72  1  0.240740  0.248868  0.668669  1
  Ni  Ni73  1  0.740740  0.906580  0.258366  1
  Ni  Ni74  1  0.740740  0.558611  0.246867  1
  Ni  Ni75  1  0.240740  0.534590  0.296352  1
  Ni  Ni76  1  0.240740  0.898869  0.311096  1
  Ni  Ni77  1  0.740740  0.508919  0.333858  1
  Ni  Ni78  1  0.740740  0.152625  0.320657  1
  Ni  Ni79  1  0.240740  0.152607  0.373687  1
  Ni  Ni80  1  0.240740  0.513692  0.386526  1
  Ni  Ni81  1  0.740740  0.124465  0.411221  1
  Ni  Ni82  1  0.740740  0.763011  0.398212  1
  Ni  Ni83  1  0.240740  0.763869  0.451297  1
  Ni  Ni84  1  0.240740  0.125332  0.464351  1
  Ni  Ni85  1  0.740740  0.736343  0.488774  1
  Ni  Ni86  1  0.740740  0.374880  0.475720  1
  Ni  Ni87  1  0.240740  0.375747  0.528850  1
  Ni  Ni88  1  0.240740  0.737202  0.541859  1
  Ni  Ni89  1  0.740740  0.347605  0.566384  1
  Ni  Ni90  1  0.740740  0.986521  0.553545  1
  Ni  Ni91  1  0.240740  0.991293  0.606213  1
  Ni  Ni92  1  0.240740  0.347587  0.619414  1
  Ni  Ni93  1  0.740740  0.965623  0.643719  1
  Ni  Ni94  1  0.740740  0.601343  0.628975  1
  Ni  Ni95  1  0.240740  0.593632  0.681705  1
  Ni  Ni96  1  0.240740  0.941601  0.693204  1
