# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95817790
_cell_length_b   10.44475275
_cell_length_c   51.98644812
_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   'Al54 Ni36'
_cell_volume   2692.21918495
_cell_formula_units_Z   18
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  1.001342  0.399994  0.283740  1
  Al  Al2  1  0.995731  0.036154  0.318899  1
  Al  Al3  1  0.040314  0.752862  0.264355  1
  Al  Al4  1  0.357375  0.190700  0.280228  1
  Al  Al5  1  0.359907  0.823429  0.309873  1
  Al  Al6  1  0.354142  0.471903  0.333230  1
  Al  Al7  1  0.633516  0.247289  0.325011  1
  Al  Al8  1  0.649516  0.960639  0.272081  1
  Al  Al9  1  0.636291  0.602681  0.293679  1
  Al  Al10  1  0.997886  0.328068  0.365418  1
  Al  Al11  1  0.002715  0.968497  0.393351  1
  Al  Al12  1  0.965942  0.679022  0.341849  1
  Al  Al13  1  0.341534  0.113805  0.358350  1
  Al  Al14  1  0.355232  0.753792  0.385569  1
  Al  Al15  1  0.353780  0.401603  0.409893  1
  Al  Al16  1  0.637313  0.180798  0.401486  1
  Al  Al17  1  0.645525  0.894095  0.350203  1
  Al  Al18  1  0.646647  0.534827  0.373933  1
  Al  Al19  1  0.999084  0.255666  0.443598  1
  Al  Al20  1  1.000292  0.898235  0.469924  1
  Al  Al21  1  0.999374  0.609998  0.418471  1
  Al  Al22  1  0.350748  0.044027  0.435626  1
  Al  Al23  1  0.355594  0.685649  0.461898  1
  Al  Al24  1  0.356726  0.329979  0.487043  1
  Al  Al25  1  0.646359  0.109882  0.477926  1
  Al  Al26  1  0.644155  0.823872  0.427038  1
  Al  Al27  1  0.647713  0.466209  0.451616  1
  Al  Al28  1  0.003981  0.185104  0.520645  1
  Al  Al29  1  0.005332  0.827638  0.546950  1
  Al  Al30  1  1.002191  0.541624  0.495292  1
  Al  Al31  1  0.357931  0.973428  0.512630  1
  Al  Al32  1  0.356794  0.617045  0.538936  1
  Al  Al33  1  0.360156  0.259473  0.563568  1
  Al  Al34  1  0.653459  0.039363  0.554923  1
  Al  Al35  1  0.647690  0.753310  0.503541  1
  Al  Al36  1  0.648825  0.397600  0.528677  1
  Al  Al37  1  1.002042  0.114865  0.597217  1
  Al  Al38  1  0.006195  0.755329  0.625030  1
  Al  Al39  1  0.005006  0.473203  0.572129  1
  Al  Al40  1  0.366825  0.902497  0.589076  1
  Al  Al41  1  0.357802  0.548423  0.616659  1
  Al  Al42  1  0.359201  0.189225  0.640392  1
  Al  Al43  1  0.662597  0.969574  0.632186  1
  Al  Al44  1  0.650668  0.681754  0.580674  1
  Al  Al45  1  0.649285  0.329493  0.605058  1
  Al  Al46  1  0.008330  0.046805  0.671681  1
  Al  Al47  1  1.002542  0.682641  0.706240  1
  Al  Al48  1  0.035782  0.404162  0.648680  1
  Al  Al49  1  0.371137  0.835206  0.665402  1
  Al  Al50  1  0.365465  0.476976  0.696329  1
  Al  Al51  1  0.353591  0.123384  0.717147  1
  Al  Al52  1  0.648291  0.894219  0.710027  1
  Al  Al53  1  0.651061  0.610123  0.657563  1
  Al  Al54  1  0.644094  0.260478  0.680799  1
  Ni  Ni55  1  0.852550  0.171698  0.284786  1
  Ni  Ni56  1  0.852478  0.820523  0.306556  1
  Ni  Ni57  1  0.848377  0.462486  0.328905  1
  Ni  Ni58  1  0.139883  0.259934  0.322159  1
  Ni  Ni59  1  0.152786  0.971235  0.277906  1
  Ni  Ni60  1  0.143383  0.613311  0.300915  1
  Ni  Ni61  1  0.835348  0.111004  0.359972  1
  Ni  Ni62  1  0.846880  0.752519  0.384773  1
  Ni  Ni63  1  0.847517  0.395309  0.408607  1
  Ni  Ni64  1  0.144549  0.187376  0.400784  1
  Ni  Ni65  1  0.151906  0.890108  0.351534  1
  Ni  Ni66  1  0.152127  0.542194  0.375575  1
  Ni  Ni67  1  0.844923  0.039338  0.435519  1
  Ni  Ni68  1  0.848922  0.681945  0.460956  1
  Ni  Ni69  1  0.850001  0.325873  0.486202  1
  Ni  Ni70  1  0.152932  0.114698  0.478139  1
  Ni  Ni71  1  0.150664  0.826291  0.427660  1
  Ni  Ni72  1  0.154485  0.470375  0.452814  1
  Ni  Ni73  1  0.851357  0.968645  0.512423  1
  Ni  Ni74  1  0.850033  0.612859  0.537773  1
  Ni  Ni75  1  0.853600  0.257000  0.562926  1
  Ni  Ni76  1  0.159337  0.043993  0.555038  1
  Ni  Ni77  1  0.154398  0.757409  0.504356  1
  Ni  Ni78  1  0.155490  0.401329  0.529634  1
  Ni  Ni79  1  0.859587  0.896132  0.589730  1
  Ni  Ni80  1  0.852018  0.541303  0.615005  1
  Ni  Ni81  1  0.852382  0.192791  0.639048  1
  Ni  Ni82  1  0.168870  0.972369  0.630617  1
  Ni  Ni83  1  0.157040  0.687892  0.581917  1
  Ni  Ni84  1  0.157690  0.330794  0.605858  1
  Ni  Ni85  1  0.864529  0.823096  0.668206  1
  Ni  Ni86  1  0.863805  0.467031  0.690054  1
  Ni  Ni87  1  0.854871  0.115921  0.712495  1
  Ni  Ni88  1  0.152871  0.910435  0.705602  1
  Ni  Ni89  1  0.156687  0.620266  0.661368  1
  Ni  Ni90  1  0.146738  0.263006  0.683826  1
