# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01379940
_cell_length_b   10.64012216
_cell_length_c   49.43766069
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.14800129
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al42 Ni28'
_cell_volume   2073.59207869
_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  0.192108  0.569958  0.270252  1
  Al  Al2  1  0.972603  0.008779  0.302059  1
  Al  Al3  1  0.575041  0.803996  0.313520  1
  Al  Al4  1  0.796177  0.361695  0.280774  1
  Al  Al5  1  0.159178  0.635809  0.326049  1
  Al  Al6  1  0.382044  0.189915  0.292648  1
  Al  Al7  1  0.757674  0.438766  0.335840  1
  Al  Al8  1  0.532529  0.889060  0.368807  1
  Al  Al9  1  0.127615  0.698866  0.379499  1
  Al  Al10  1  0.350468  0.253128  0.345917  1
  Al  Al11  1  0.714126  0.525927  0.391802  1
  Al  Al12  1  0.936079  0.081942  0.357968  1
  Al  Al13  1  0.309860  0.334420  0.402616  1
  Al  Al14  1  0.087008  0.780144  0.435871  1
  Al  Al15  1  0.682701  0.588735  0.446531  1
  Al  Al16  1  0.905598  0.142925  0.413238  1
  Al  Al17  1  0.268869  0.416469  0.458841  1
  Al  Al18  1  0.491523  0.971135  0.425257  1
  Al  Al19  1  0.864498  0.225188  0.469479  1
  Al  Al20  1  0.641932  0.670340  0.502908  1
  Al  Al21  1  0.237506  0.479171  0.513564  1
  Al  Al22  1  0.460215  0.033729  0.480084  1
  Al  Al23  1  0.823592  0.307066  0.525762  1
  Al  Al24  1  0.046300  0.861627  0.492265  1
  Al  Al25  1  0.419269  0.115685  0.536358  1
  Al  Al26  1  0.196673  0.560904  0.569980  1
  Al  Al27  1  0.792257  0.369713  0.580598  1
  Al  Al28  1  0.014925  0.924349  0.546965  1
  Al  Al29  1  0.378295  0.197696  0.592599  1
  Al  Al30  1  0.601092  0.752089  0.559259  1
  Al  Al31  1  0.974095  0.006071  0.603203  1
  Al  Al32  1  0.750361  0.453573  0.637059  1
  Al  Al33  1  0.347831  0.258663  0.647667  1
  Al  Al34  1  0.569911  0.814400  0.613937  1
  Al  Al35  1  0.933839  0.086655  0.660001  1
  Al  Al36  1  0.156386  0.641547  0.626685  1
  Al  Al37  1  0.528699  0.896878  0.669333  1
  Al  Al38  1  0.314739  0.324978  0.703269  1
  Al  Al39  1  0.901306  0.151807  0.712223  1
  Al  Al40  1  0.124899  0.704458  0.680258  1
  Al  Al41  1  0.479602  0.995130  0.721315  1
  Al  Al42  1  0.708344  0.537625  0.692090  1
  Ni  Ni43  1  0.686098  0.581966  0.298129  1
  Ni  Ni44  1  0.462374  0.029297  0.329747  1
  Ni  Ni45  1  0.496960  0.959974  0.276764  1
  Ni  Ni46  1  0.269112  0.415856  0.308311  1
  Ni  Ni47  1  0.239505  0.475148  0.363169  1
  Ni  Ni48  1  0.016411  0.921338  0.396260  1
  Ni  Ni49  1  0.046599  0.860888  0.341314  1
  Ni  Ni50  1  0.825990  0.302113  0.375357  1
  Ni  Ni51  1  0.794074  0.366034  0.429988  1
  Ni  Ni52  1  0.571425  0.811354  0.463361  1
  Ni  Ni53  1  0.602779  0.748560  0.408397  1
  Ni  Ni54  1  0.380314  0.193514  0.442084  1
  Ni  Ni55  1  0.348797  0.256633  0.496889  1
  Ni  Ni56  1  0.126248  0.701753  0.530384  1
  Ni  Ni57  1  0.157563  0.639037  0.475427  1
  Ni  Ni58  1  0.934986  0.084208  0.508942  1
  Ni  Ni59  1  0.903501  0.147261  0.563764  1
  Ni  Ni60  1  0.680961  0.592373  0.597421  1
  Ni  Ni61  1  0.712392  0.529424  0.542474  1
  Ni  Ni62  1  0.489756  0.974710  0.575828  1
  Ni  Ni63  1  0.458109  0.038088  0.630545  1
  Ni  Ni64  1  0.237524  0.479276  0.664737  1
  Ni  Ni65  1  0.267327  0.419596  0.609561  1
  Ni  Ni66  1  0.044779  0.864681  0.642529  1
  Ni  Ni67  1  0.015570  0.923160  0.697118  1
  Ni  Ni68  1  0.788608  0.377342  0.728221  1
  Ni  Ni69  1  0.820905  0.312583  0.675638  1
  Ni  Ni70  1  0.595215  0.763846  0.708975  1
