# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.54114089
_cell_length_b   6.34951807
_cell_length_c   49.31232445
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.84657026
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al63 Ni42'
_cell_volume   3276.99501957
_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  0.197478  0.281950  0.285981  1
  Al  Al2  1  0.547432  0.109599  0.302066  1
  Al  Al3  1  0.899259  0.971094  0.326827  1
  Al  Al4  1  0.437838  0.487546  0.298498  1
  Al  Al5  1  0.783311  0.362255  0.319663  1
  Al  Al6  1  0.128005  0.233085  0.340987  1
  Al  Al7  1  0.304474  0.845148  0.290600  1
  Al  Al8  1  0.668196  0.726517  0.309828  1
  Al  Al9  1  0.022380  0.601586  0.328307  1
  Al  Al10  1  0.246791  0.852740  0.345844  1
  Al  Al11  1  0.593154  0.719372  0.365266  1
  Al  Al12  1  0.940779  0.582783  0.386539  1
  Al  Al13  1  0.477281  0.102970  0.358812  1
  Al  Al14  1  0.823884  0.968015  0.380628  1
  Al  Al15  1  0.174051  0.839786  0.401943  1
  Al  Al16  1  0.360266  0.469941  0.351433  1
  Al  Al17  1  0.707490  0.332440  0.372817  1
  Al  Al18  1  0.055781  0.203595  0.394106  1
  Al  Al19  1  0.288562  0.458153  0.407628  1
  Al  Al20  1  0.636250  0.330089  0.428828  1
  Al  Al21  1  0.984543  0.199913  0.449970  1
  Al  Al22  1  0.520742  0.711011  0.422182  1
  Al  Al23  1  0.868231  0.580928  0.443056  1
  Al  Al24  1  0.216443  0.451195  0.464200  1
  Al  Al25  1  0.405977  0.078919  0.413883  1
  Al  Al26  1  0.752561  0.946719  0.435220  1
  Al  Al27  1  0.100164  0.817285  0.456270  1
  Al  Al28  1  0.332614  0.068690  0.470569  1
  Al  Al29  1  0.680205  0.938871  0.491514  1
  Al  Al30  1  0.028208  0.809222  0.512542  1
  Al  Al31  1  0.563949  0.320488  0.485122  1
  Al  Al32  1  0.911654  0.190326  0.506226  1
  Al  Al33  1  0.260035  0.060530  0.527011  1
  Al  Al34  1  0.448774  0.687360  0.476926  1
  Al  Al35  1  0.796623  0.557333  0.497847  1
  Al  Al36  1  0.144240  0.427308  0.518839  1
  Al  Al37  1  0.376006  0.678668  0.533360  1
  Al  Al38  1  0.724033  0.547863  0.554204  1
  Al  Al39  1  0.071712  0.418308  0.575156  1
  Al  Al40  1  0.608269  0.930588  0.547765  1
  Al  Al41  1  0.955500  0.800574  0.568949  1
  Al  Al42  1  0.302980  0.669188  0.589852  1
  Al  Al43  1  0.492419  0.296680  0.539805  1
  Al  Al44  1  0.840242  0.166796  0.561056  1
  Al  Al45  1  0.187192  0.036816  0.581635  1
  Al  Al46  1  0.419793  0.288984  0.596087  1
  Al  Al47  1  0.767980  0.163319  0.617793  1
  Al  Al48  1  0.116213  0.028184  0.638488  1
  Al  Al49  1  0.652438  0.543153  0.610199  1
  Al  Al50  1  1.001321  0.415747  0.631465  1
  Al  Al51  1  0.346588  0.277981  0.651768  1
  Al  Al52  1  0.535365  0.907354  0.602121  1
  Al  Al53  1  0.884447  0.779793  0.623660  1
  Al  Al54  1  0.231426  0.646730  0.644745  1
  Al  Al55  1  0.461467  0.897539  0.657833  1
  Al  Al56  1  0.810508  0.780266  0.677606  1
  Al  Al57  1  0.162008  0.628571  0.700840  1
  Al  Al58  1  0.687414  0.146119  0.675151  1
  Al  Al59  1  0.048031  0.030148  0.694197  1
  Al  Al60  1  0.400852  0.889363  0.713354  1
  Al  Al61  1  0.578959  0.511471  0.663456  1
  Al  Al62  1  0.922203  0.388225  0.684515  1
  Al  Al63  1  0.290617  0.264256  0.705707  1
  Ni  Ni64  1  0.457143  0.805871  0.327944  1
  Ni  Ni65  1  0.768588  0.061895  0.291273  1
  Ni  Ni66  1  0.110585  0.956726  0.308984  1
  Ni  Ni67  1  0.334305  0.154075  0.319925  1
  Ni  Ni68  1  0.684393  0.027072  0.339336  1
  Ni  Ni69  1  0.981684  0.262643  0.301037  1
  Ni  Ni70  1  0.500180  0.413643  0.391217  1
  Ni  Ni71  1  0.804967  0.665810  0.350114  1
  Ni  Ni72  1  0.151811  0.545442  0.370710  1
  Ni  Ni73  1  0.383589  0.767297  0.382346  1
  Ni  Ni74  1  0.729149  0.634970  0.402843  1
  Ni  Ni75  1  0.036794  0.888978  0.362145  1
  Ni  Ni76  1  0.543750  0.022094  0.454206  1
  Ni  Ni77  1  0.847187  0.279855  0.412612  1
  Ni  Ni78  1  0.196528  0.152073  0.433553  1
  Ni  Ni79  1  0.424787  0.376163  0.444999  1
  Ni  Ni80  1  0.772911  0.246062  0.465987  1
  Ni  Ni81  1  0.077328  0.506149  0.424201  1
  Ni  Ni82  1  0.587399  0.631519  0.517023  1
  Ni  Ni83  1  0.891549  0.891967  0.475265  1
  Ni  Ni84  1  0.239669  0.762093  0.496161  1
  Ni  Ni85  1  0.468811  0.985638  0.507833  1
  Ni  Ni86  1  0.816840  0.855632  0.528816  1
  Ni  Ni87  1  0.121349  0.116255  0.487024  1
  Ni  Ni88  1  0.631709  0.241355  0.579997  1
  Ni  Ni89  1  0.935322  0.501950  0.538013  1
  Ni  Ni90  1  0.283169  0.371477  0.558873  1
  Ni  Ni91  1  0.512332  0.595826  0.570485  1
  Ni  Ni92  1  0.860947  0.467089  0.591688  1
  Ni  Ni93  1  0.164645  0.725690  0.549724  1
  Ni  Ni94  1  0.671277  0.855300  0.642210  1
  Ni  Ni95  1  0.979289  0.113430  0.601251  1
  Ni  Ni96  1  0.325230  0.979898  0.621201  1
  Ni  Ni97  1  0.556456  0.203198  0.633075  1
  Ni  Ni98  1  0.905967  0.082971  0.654210  1
  Ni  Ni99  1  0.207766  0.334944  0.612435  1
  Ni  Ni100  1  0.720638  0.488756  0.702822  1
  Ni  Ni101  1  0.024592  0.724686  0.664833  1
  Ni  Ni102  1  0.376889  0.593186  0.683211  1
  Ni  Ni103  1  0.596850  0.792137  0.694341  1
  Ni  Ni104  1  0.945200  0.692502  0.712333  1
  Ni  Ni105  1  0.252664  0.941609  0.676030  1
