# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94471239
_cell_length_b   15.14124528
_cell_length_c   47.35066086
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.49124701
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al54 Ni36'
_cell_volume   2803.90187191
_cell_formula_units_Z   18
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  0.012873  0.982917  0.294477  1
  Al  Al2  1  0.867102  0.274781  0.316444  1
  Al  Al3  1  0.712963  0.582857  0.341317  1
  Al  Al4  1  0.588384  0.832034  0.304835  1
  Al  Al5  1  0.435722  0.137452  0.331608  1
  Al  Al6  1  0.750765  0.507265  0.285259  1
  Al  Al7  1  0.990674  0.027384  0.352242  1
  Al  Al8  1  0.307176  0.394577  0.302138  1
  Al  Al9  1  0.146765  0.715116  0.326860  1
  Al  Al10  1  0.561266  0.886260  0.364660  1
  Al  Al11  1  0.398501  0.211829  0.388293  1
  Al  Al12  1  0.238910  0.530940  0.412490  1
  Al  Al13  1  0.119219  0.770404  0.380678  1
  Al  Al14  1  0.960618  0.087525  0.404676  1
  Al  Al15  1  0.276684  0.455493  0.356141  1
  Al  Al16  1  0.517014  0.974685  0.420683  1
  Al  Al17  1  0.832929  0.343000  0.373430  1
  Al  Al18  1  0.674974  0.658826  0.397358  1
  Al  Al19  1  0.080356  0.847998  0.436794  1
  Al  Al20  1  0.921863  0.164949  0.460274  1
  Al  Al21  1  0.764618  0.479423  0.483877  1
  Al  Al22  1  0.644687  0.719314  0.452069  1
  Al  Al23  1  0.486346  0.035967  0.475326  1
  Al  Al24  1  0.802625  0.403492  0.427752  1
  Al  Al25  1  0.042379  0.923857  0.492762  1
  Al  Al26  1  0.358734  0.291244  0.444660  1
  Al  Al27  1  0.200674  0.607328  0.468710  1
  Al  Al28  1  0.606129  0.796340  0.508004  1
  Al  Al29  1  0.448884  0.110814  0.531607  1
  Al  Al30  1  0.290391  0.427766  0.555087  1
  Al  Al31  1  0.170073  0.668436  0.523171  1
  Al  Al32  1  0.012013  0.984519  0.547221  1
  Al  Al33  1  0.328368  0.351907  0.499119  1
  Al  Al34  1  0.568122  0.872271  0.564129  1
  Al  Al35  1  0.884401  0.239797  0.516556  1
  Al  Al36  1  0.726060  0.556450  0.539812  1
  Al  Al37  1  0.131837  0.744823  0.579391  1
  Al  Al38  1  0.972246  0.063935  0.603589  1
  Al  Al39  1  0.809481  0.389504  0.627221  1
  Al  Al40  1  0.695773  0.616937  0.594523  1
  Al  Al41  1  0.537818  0.932763  0.618451  1
  Al  Al42  1  0.853733  0.301078  0.571198  1
  Al  Al43  1  0.094063  0.820271  0.635740  1
  Al  Al44  1  0.410129  0.188238  0.587206  1
  Al  Al45  1  0.251528  0.505359  0.611204  1
  Al  Al46  1  0.657784  0.692906  0.650564  1
  Al  Al47  1  0.503645  1.000983  0.675437  1
  Al  Al48  1  0.357874  0.292846  0.697404  1
  Al  Al49  1  0.223982  0.560647  0.665021  1
  Al  Al50  1  0.063571  0.881187  0.689744  1
  Al  Al51  1  0.380073  0.248379  0.639639  1
  Al  Al52  1  0.619982  0.768498  0.706623  1
  Al  Al53  1  0.935025  0.138312  0.660273  1
  Al  Al54  1  0.782363  0.443730  0.687047  1
  Ni  Ni55  1  0.513810  0.981089  0.324592  1
  Ni  Ni56  1  0.356114  0.296664  0.344940  1
  Ni  Ni57  1  0.670966  0.666774  0.297911  1
  Ni  Ni58  1  0.068070  0.872703  0.336113  1
  Ni  Ni59  1  0.388789  0.231538  0.289989  1
  Ni  Ni60  1  0.225674  0.557473  0.313335  1
  Ni  Ni61  1  0.040397  0.927917  0.392568  1
  Ni  Ni62  1  0.881449  0.245835  0.415932  1
  Ni  Ni63  1  0.197659  0.613428  0.368679  1
  Ni  Ni64  1  0.596538  0.815726  0.409739  1
  Ni  Ni65  1  0.911200  0.186509  0.360579  1
  Ni  Ni66  1  0.754138  0.500562  0.385004  1
  Ni  Ni67  1  0.565196  0.878238  0.464030  1
  Ni  Ni68  1  0.407204  0.194195  0.487756  1
  Ni  Ni69  1  0.723475  0.561734  0.439997  1
  Ni  Ni70  1  0.121670  0.765334  0.480582  1
  Ni  Ni71  1  0.437878  0.132995  0.432870  1
  Ni  Ni72  1  0.279868  0.448998  0.456439  1
  Ni  Ni73  1  0.090879  0.826765  0.535442  1
  Ni  Ni74  1  0.932869  0.142769  0.559011  1
  Ni  Ni75  1  0.249077  0.510429  0.511299  1
  Ni  Ni76  1  0.647272  0.714029  0.551884  1
  Ni  Ni77  1  0.963543  0.081569  0.504125  1
  Ni  Ni78  1  0.805551  0.397525  0.527851  1
  Ni  Ni79  1  0.616609  0.775202  0.606878  1
  Ni  Ni80  1  0.459547  0.089255  0.631302  1
  Ni  Ni81  1  0.774209  0.460037  0.582142  1
  Ni  Ni82  1  0.173088  0.662335  0.623203  1
  Ni  Ni83  1  0.489298  0.029928  0.575949  1
  Ni  Ni84  1  0.330350  0.347847  0.599313  1
  Ni  Ni85  1  0.145073  0.718290  0.678547  1
  Ni  Ni86  1  0.981959  0.044225  0.701893  1
  Ni  Ni87  1  0.302677  0.403060  0.655768  1
  Ni  Ni88  1  0.699781  0.608989  0.693970  1
  Ni  Ni89  1  0.014634  0.979099  0.646941  1
  Ni  Ni90  1  0.856937  0.294674  0.667289  1
