# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85300316
_cell_length_b   10.53341575
_cell_length_c   46.98538759
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.01907736
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al66 Ni44'
_cell_volume   3206.51457867
_cell_formula_units_Z   22
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  0.517143  0.502499  0.297561  1
  Al  Al2  1  0.233380  0.977794  0.276367  1
  Al  Al3  1  0.088782  0.296304  0.290088  1
  Al  Al4  1  0.776237  0.784977  0.279752  1
  Al  Al5  1  0.932119  0.633691  0.313280  1
  Al  Al6  1  0.654706  0.158667  0.285110  1
  Al  Al7  1  0.964898  0.410615  0.341648  1
  Al  Al8  1  0.730214  0.959612  0.322506  1
  Al  Al9  1  0.552589  0.256640  0.333962  1
  Al  Al10  1  0.337347  0.775163  0.311689  1
  Al  Al11  1  0.375503  0.592118  0.349605  1
  Al  Al12  1  0.142936  0.114433  0.327980  1
  Al  Al13  1  0.443188  0.381884  0.382836  1
  Al  Al14  1  0.202029  0.896003  0.361854  1
  Al  Al15  1  0.032529  0.217467  0.375607  1
  Al  Al16  1  0.781748  0.738715  0.355121  1
  Al  Al17  1  0.863452  0.553920  0.389690  1
  Al  Al18  1  0.619176  0.073530  0.369727  1
  Al  Al19  1  0.926228  0.345989  0.425077  1
  Al  Al20  1  0.686109  0.867089  0.404348  1
  Al  Al21  1  0.509646  0.177159  0.417854  1
  Al  Al22  1  0.269541  0.696902  0.397428  1
  Al  Al23  1  0.343284  0.513500  0.432302  1
  Al  Al24  1  0.103412  0.033735  0.411469  1
  Al  Al25  1  0.406733  0.306806  0.466567  1
  Al  Al26  1  0.166449  0.826369  0.445871  1
  Al  Al27  1  0.989752  0.138080  0.459362  1
  Al  Al28  1  0.750427  0.657587  0.438394  1
  Al  Al29  1  0.821806  0.474354  0.473846  1
  Al  Al30  1  0.581983  0.993899  0.453105  1
  Al  Al31  1  0.886136  0.266963  0.508300  1
  Al  Al32  1  0.646110  0.786299  0.487549  1
  Al  Al33  1  0.469771  0.098618  0.501021  1
  Al  Al34  1  0.229415  0.618224  0.480221  1
  Al  Al35  1  0.302831  0.435038  0.515628  1
  Al  Al36  1  0.062475  0.954643  0.494828  1
  Al  Al37  1  0.365796  0.226893  0.549978  1
  Al  Al38  1  0.125512  0.746455  0.529282  1
  Al  Al39  1  0.950263  0.059363  0.542744  1
  Al  Al40  1  0.710440  0.578908  0.522003  1
  Al  Al41  1  0.781819  0.395675  0.557455  1
  Al  Al42  1  0.542493  0.915182  0.536487  1
  Al  Al43  1  0.846137  0.186173  0.591502  1
  Al  Al44  1  0.606017  0.707273  0.570772  1
  Al  Al45  1  0.428834  0.019527  0.584380  1
  Al  Al46  1  0.188961  0.539762  0.563548  1
  Al  Al47  1  0.262705  0.356360  0.598422  1
  Al  Al48  1  0.022600  0.876103  0.577995  1
  Al  Al49  1  0.330216  0.157258  0.633995  1
  Al  Al50  1  0.089057  0.671378  0.613013  1
  Al  Al51  1  0.913070  0.979732  0.626122  1
  Al  Al52  1  0.668794  0.499342  0.606159  1
  Al  Al53  1  0.750498  0.314546  0.640728  1
  Al  Al54  1  0.499717  0.835795  0.620242  1
  Al  Al55  1  0.802031  0.093649  0.673343  1
  Al  Al56  1  0.567347  0.642647  0.654201  1
  Al  Al57  1  0.389310  0.938829  0.667869  1
  Al  Al58  1  0.156742  0.461144  0.646244  1
  Al  Al59  1  0.194898  0.278098  0.684161  1
  Al  Al60  1  0.979656  0.796622  0.661888  1
  Al  Al61  1  0.298865  0.075468  0.719483  1
  Al  Al62  1  0.015102  0.550763  0.698288  1
  Al  Al63  1  0.877540  0.894594  0.710739  1
  Al  Al64  1  0.600127  0.419570  0.682569  1
  Al  Al65  1  0.756008  0.268285  0.716097  1
  Al  Al66  1  0.443464  0.756958  0.705761  1
  Ni  Ni67  1  0.187886  0.533280  0.303089  1
  Ni  Ni68  1  0.934675  0.048877  0.282226  1
  Ni  Ni69  1  0.794165  0.397266  0.296914  1
  Ni  Ni70  1  0.549781  0.918857  0.275930  1
  Ni  Ni71  1  0.667327  0.495196  0.345003  1
  Ni  Ni72  1  0.420994  0.015913  0.323206  1
  Ni  Ni73  1  0.276656  0.356486  0.336490  1
  Ni  Ni74  1  0.027464  0.875499  0.318047  1
  Ni  Ni75  1  0.147940  0.457172  0.386608  1
  Ni  Ni76  1  0.912438  0.978604  0.366212  1
  Ni  Ni77  1  0.742959  0.311664  0.380502  1
  Ni  Ni78  1  0.503269  0.833064  0.359541  1
  Ni  Ni79  1  0.628944  0.418595  0.427719  1
  Ni  Ni80  1  0.387008  0.937920  0.407046  1
  Ni  Ni81  1  0.223229  0.273058  0.421793  1
  Ni  Ni82  1  0.982000  0.792625  0.401109  1
  Ni  Ni83  1  0.108802  0.378909  0.469815  1
  Ni  Ni84  1  0.868707  0.898496  0.449051  1
  Ni  Ni85  1  0.703479  0.233493  0.463538  1
  Ni  Ni86  1  0.463954  0.753207  0.442819  1
  Ni  Ni87  1  0.588772  0.339500  0.511469  1
  Ni  Ni88  1  0.348515  0.858946  0.490714  1
  Ni  Ni89  1  0.183730  0.194316  0.505136  1
  Ni  Ni90  1  0.943474  0.713762  0.484380  1
  Ni  Ni91  1  0.068292  0.300055  0.553030  1
  Ni  Ni92  1  0.828766  0.819768  0.532311  1
  Ni  Ni93  1  0.663538  0.154766  0.546798  1
  Ni  Ni94  1  0.423444  0.674353  0.526034  1
  Ni  Ni95  1  0.550245  0.260637  0.594740  1
  Ni  Ni96  1  0.309017  0.780204  0.574056  1
  Ni  Ni97  1  0.145238  0.115341  0.588803  1
  Ni  Ni98  1  0.903301  0.634667  0.568131  1
  Ni  Ni99  1  0.028977  0.220198  0.636309  1
  Ni  Ni100  1  0.789287  0.741598  0.615347  1
  Ni  Ni101  1  0.619808  0.074658  0.629637  1
  Ni  Ni102  1  0.384306  0.596090  0.609241  1
  Ni  Ni103  1  0.504781  0.177763  0.677802  1
  Ni  Ni104  1  0.255590  0.696776  0.659359  1
  Ni  Ni105  1  0.111251  0.037349  0.672644  1
  Ni  Ni106  1  0.864919  0.558066  0.650847  1
  Ni  Ni107  1  0.982465  0.134404  0.719920  1
  Ni  Ni108  1  0.738081  0.655996  0.698935  1
  Ni  Ni109  1  0.597571  0.004385  0.713623  1
  Ni  Ni110  1  0.344360  0.519982  0.692761  1
