# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84014615
_cell_length_b   6.35873161
_cell_length_c   47.22859738
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al42 Ni28'
_cell_volume   2054.19148143
_cell_formula_units_Z   14
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  0.986004  0.496384  0.273936  1
  Al  Al2  1  0.529121  0.234182  0.290875  1
  Al  Al3  1  0.363975  0.627177  0.285522  1
  Al  Al4  1  0.866666  0.428137  0.325329  1
  Al  Al5  1  0.186189  0.005173  0.275539  1
  Al  Al6  1  0.715454  0.805973  0.303476  1
  Al  Al7  1  0.026390  0.024897  0.332987  1
  Al  Al8  1  0.510481  0.853856  0.367132  1
  Al  Al9  1  0.341728  0.228921  0.356501  1
  Al  Al10  1  0.839186  0.039841  0.388679  1
  Al  Al11  1  0.176994  0.626164  0.341570  1
  Al  Al12  1  0.687813  0.402362  0.376009  1
  Al  Al13  1  0.011865  0.610288  0.397075  1
  Al  Al14  1  0.508243  0.429075  0.431847  1
  Al  Al15  1  0.342240  0.837763  0.423046  1
  Al  Al16  1  0.837891  0.643607  0.456148  1
  Al  Al17  1  0.184300  0.218029  0.408867  1
  Al  Al18  1  0.680041  0.013758  0.442280  1
  Al  Al19  1  0.009798  0.233779  0.466694  1
  Al  Al20  1  0.506743  0.032556  0.499503  1
  Al  Al21  1  0.336628  0.446078  0.489764  1
  Al  Al22  1  0.835459  0.247077  0.523252  1
  Al  Al23  1  0.178545  0.818787  0.475919  1
  Al  Al24  1  0.677076  0.619374  0.509488  1
  Al  Al25  1  1.003966  0.831869  0.532627  1
  Al  Al26  1  0.505584  0.637131  0.567370  1
  Al  Al27  1  0.333282  0.052057  0.557019  1
  Al  Al28  1  0.830159  0.848363  0.590039  1
  Al  Al29  1  0.176072  0.422311  0.543120  1
  Al  Al30  1  0.670491  0.228156  0.575933  1
  Al  Al31  1  1.002331  0.456785  0.602343  1
  Al  Al32  1  0.501229  0.209571  0.632170  1
  Al  Al33  1  0.321741  0.661904  0.623763  1
  Al  Al34  1  0.844052  0.444397  0.656850  1
  Al  Al35  1  0.174763  0.026627  0.610829  1
  Al  Al36  1  0.670768  0.837082  0.641584  1
  Al  Al37  1  0.994690  0.033996  0.664552  1
  Al  Al38  1  0.488696  0.824800  0.708113  1
  Al  Al39  1  0.318476  0.256685  0.695815  1
  Al  Al40  1  0.827160  0.050921  0.722672  1
  Al  Al41  1  0.153325  0.618396  0.680036  1
  Al  Al42  1  0.691349  0.437934  0.711635  1
  Ni  Ni43  1  0.370962  0.930995  0.320318  1
  Ni  Ni44  1  0.873324  0.144999  0.290119  1
  Ni  Ni45  1  0.201804  0.315832  0.309526  1
  Ni  Ni46  1  0.518888  0.532595  0.332394  1
  Ni  Ni47  1  0.355260  0.540139  0.387118  1
  Ni  Ni48  1  0.833310  0.739169  0.354581  1
  Ni  Ni49  1  0.171490  0.914009  0.377385  1
  Ni  Ni50  1  0.674470  0.118301  0.338280  1
  Ni  Ni51  1  0.344480  0.138801  0.455792  1
  Ni  Ni52  1  0.846534  0.332413  0.423133  1
  Ni  Ni53  1  0.171921  0.523348  0.442421  1
  Ni  Ni54  1  0.680273  0.716668  0.408693  1
  Ni  Ni55  1  0.342328  0.742482  0.523319  1
  Ni  Ni56  1  0.842187  0.940834  0.489242  1
  Ni  Ni57  1  0.171825  0.124632  0.510043  1
  Ni  Ni58  1  0.671278  0.323417  0.475893  1
  Ni  Ni59  1  0.333278  0.349559  0.590605  1
  Ni  Ni60  1  0.842163  0.541876  0.556852  1
  Ni  Ni61  1  0.168016  0.733747  0.576227  1
  Ni  Ni62  1  0.668669  0.927136  0.543249  1
  Ni  Ni63  1  0.341804  0.937023  0.661302  1
  Ni  Ni64  1  0.840467  0.153547  0.621521  1
  Ni  Ni65  1  0.183377  0.331025  0.645237  1
  Ni  Ni66  1  0.656573  0.523549  0.611980  1
  Ni  Ni67  1  0.500854  0.533082  0.666435  1
  Ni  Ni68  1  0.815348  0.756098  0.688021  1
  Ni  Ni69  1  0.144756  0.931054  0.708410  1
  Ni  Ni70  1  0.650846  0.131697  0.677850  1
