# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.46702890
_cell_length_b   6.25706215
_cell_length_c   49.22171605
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.84322625
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al63 Ni42'
_cell_volume   3200.70472282
_cell_formula_units_Z   21
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  0.217564  0.537999  0.304249  1
  Al  Al2  1  0.572657  0.420891  0.329170  1
  Al  Al3  1  0.878278  0.786784  0.292365  1
  Al  Al4  1  0.457868  0.816055  0.325588  1
  Al  Al5  1  0.690824  0.106520  0.282822  1
  Al  Al6  1  0.128383  0.931316  0.303461  1
  Al  Al7  1  0.348187  0.177760  0.314126  1
  Al  Al8  1  0.698156  0.049983  0.335975  1
  Al  Al9  1  0.969155  0.251142  0.296131  1
  Al  Al10  1  0.267376  0.167199  0.370290  1
  Al  Al11  1  0.614716  0.039356  0.392383  1
  Al  Al12  1  0.918992  0.311871  0.351773  1
  Al  Al13  1  0.497094  0.431068  0.385780  1
  Al  Al14  1  0.799108  0.686527  0.346167  1
  Al  Al15  1  0.151961  0.561378  0.363979  1
  Al  Al16  1  0.380538  0.782261  0.377541  1
  Al  Al17  1  0.729272  0.654134  0.398869  1
  Al  Al18  1  0.030218  0.914282  0.355159  1
  Al  Al19  1  0.308992  0.783543  0.433663  1
  Al  Al20  1  0.657319  0.653929  0.454914  1
  Al  Al21  1  0.962827  0.913470  0.413199  1
  Al  Al22  1  0.541178  0.040098  0.448741  1
  Al  Al23  1  0.848136  0.299478  0.407566  1
  Al  Al24  1  0.194342  0.169235  0.427703  1
  Al  Al25  1  0.425032  0.395683  0.439675  1
  Al  Al26  1  0.772265  0.266267  0.460765  1
  Al  Al27  1  0.078654  0.526502  0.418439  1
  Al  Al28  1  0.352390  0.393457  0.496432  1
  Al  Al29  1  0.699563  0.264490  0.517302  1
  Al  Al30  1  0.005217  0.522425  0.475562  1
  Al  Al31  1  0.583860  0.650322  0.511436  1
  Al  Al32  1  0.890107  0.910235  0.469775  1
  Al  Al33  1  0.236905  0.780125  0.490534  1
  Al  Al34  1  0.467875  0.006790  0.502330  1
  Al  Al35  1  0.814673  0.876680  0.523089  1
  Al  Al36  1  0.120921  0.136593  0.481428  1
  Al  Al37  1  0.395789  1.003372  0.559201  1
  Al  Al38  1  0.741953  0.873445  0.579665  1
  Al  Al39  1  0.047462  0.132986  0.537950  1
  Al  Al40  1  0.626126  0.260413  0.574425  1
  Al  Al41  1  0.932515  0.520648  0.532099  1
  Al  Al42  1  0.279748  0.391232  0.553189  1
  Al  Al43  1  0.510438  0.617679  0.565161  1
  Al  Al44  1  0.856644  0.487437  0.585298  1
  Al  Al45  1  0.163602  0.746816  0.544123  1
  Al  Al46  1  0.437404  0.619716  0.622574  1
  Al  Al47  1  0.785788  0.475044  0.641091  1
  Al  Al48  1  0.090065  0.747559  0.600481  1
  Al  Al49  1  0.674563  0.872633  0.637705  1
  Al  Al50  1  0.975509  0.132781  0.593995  1
  Al  Al51  1  0.324243  0.004654  0.615323  1
  Al  Al52  1  0.552820  0.225536  0.628885  1
  Al  Al53  1  0.905673  0.100388  0.646697  1
  Al  Al54  1  0.207687  0.355846  0.607084  1
  Al  Al55  1  0.487217  0.248916  0.688615  1
  Al  Al56  1  0.826503  1.000131  0.700499  1
  Al  Al57  1  0.132123  0.366023  0.663694  1
  Al  Al58  1  0.735626  0.535772  0.696733  1
  Al  Al59  1  0.006625  0.736932  0.656889  1
  Al  Al60  1  0.356593  0.609155  0.678738  1
  Al  Al61  1  0.576398  0.855598  0.689403  1
  Al  Al62  1  0.013956  0.680394  0.710042  1
  Al  Al63  1  0.246912  0.970860  0.667276  1
  Ni  Ni64  1  0.442915  0.519748  0.291783  1
  Ni  Ni65  1  0.785089  0.407665  0.312646  1
  Ni  Ni66  1  0.130500  0.248835  0.333833  1
  Ni  Ni67  1  0.342134  0.866221  0.283405  1
  Ni  Ni68  1  0.657155  0.738634  0.304776  1
  Ni  Ni69  1  0.010757  0.600806  0.324118  1
  Ni  Ni70  1  0.480402  0.121587  0.355580  1
  Ni  Ni71  1  0.826864  0.994501  0.376481  1
  Ni  Ni72  1  0.171550  0.862712  0.396049  1
  Ni  Ni73  1  0.357717  0.480154  0.344971  1
  Ni  Ni74  1  0.706268  0.350740  0.367691  1
  Ni  Ni75  1  0.058026  0.220584  0.387379  1
  Ni  Ni76  1  0.520073  0.732511  0.417650  1
  Ni  Ni77  1  0.869238  0.603939  0.438546  1
  Ni  Ni78  1  0.215995  0.473835  0.459049  1
  Ni  Ni79  1  0.402999  0.092482  0.408277  1
  Ni  Ni80  1  0.751356  0.962415  0.429675  1
  Ni  Ni81  1  0.098846  0.831658  0.450242  1
  Ni  Ni82  1  0.563198  0.344254  0.480027  1
  Ni  Ni83  1  0.910953  0.214234  0.500886  1
  Ni  Ni84  1  0.259109  0.084475  0.521853  1
  Ni  Ni85  1  0.445672  0.702439  0.471011  1
  Ni  Ni86  1  0.793827  0.572680  0.491978  1
  Ni  Ni87  1  0.141582  0.442661  0.512837  1
  Ni  Ni88  1  0.605934  0.955257  0.542622  1
  Ni  Ni89  1  0.953424  0.824500  0.563189  1
  Ni  Ni90  1  0.301782  0.694432  0.584587  1
  Ni  Ni91  1  0.488786  0.313080  0.533815  1
  Ni  Ni92  1  0.835542  0.182976  0.554318  1
  Ni  Ni93  1  0.184708  0.054404  0.575214  1
  Ni  Ni94  1  0.646755  0.566331  0.605485  1
  Ni  Ni95  1  0.998512  0.436174  0.625173  1
  Ni  Ni96  1  0.347064  0.306761  0.647893  1
  Ni  Ni97  1  0.533231  0.924203  0.596815  1
  Ni  Ni98  1  0.877917  0.792414  0.616383  1
  Ni  Ni99  1  0.224378  0.665327  0.637284  1
  Ni  Ni100  1  0.694023  0.186108  0.668746  1
  Ni  Ni101  1  0.047626  0.048281  0.688088  1
  Ni  Ni102  1  0.362646  0.920693  0.709459  1
  Ni  Ni103  1  0.574280  0.538080  0.659031  1
  Ni  Ni104  1  0.919691  0.379249  0.680218  1
  Ni  Ni105  1  0.261866  0.267167  0.701081  1
