# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.46890333
_cell_length_b   6.25679344
_cell_length_c   49.21952438
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.84322629
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al63 Ni42'
_cell_volume   3200.99788711
_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  0.217433  0.537951  0.304281  1
  Al  Al2  1  0.572532  0.420791  0.329191  1
  Al  Al3  1  0.878150  0.786724  0.292395  1
  Al  Al4  1  0.457800  0.816022  0.325615  1
  Al  Al5  1  0.690772  0.106456  0.282847  1
  Al  Al6  1  0.128230  0.931277  0.303484  1
  Al  Al7  1  0.348029  0.177683  0.314160  1
  Al  Al8  1  0.698019  0.049917  0.336004  1
  Al  Al9  1  0.969030  0.251116  0.296160  1
  Al  Al10  1  0.267261  0.167200  0.370320  1
  Al  Al11  1  0.614604  0.039330  0.392408  1
  Al  Al12  1  0.918871  0.311831  0.351802  1
  Al  Al13  1  0.497001  0.431068  0.385802  1
  Al  Al14  1  0.798993  0.686491  0.346195  1
  Al  Al15  1  0.151858  0.561358  0.364003  1
  Al  Al16  1  0.380404  0.782232  0.377568  1
  Al  Al17  1  0.729143  0.654101  0.398897  1
  Al  Al18  1  0.030085  0.914229  0.355189  1
  Al  Al19  1  0.308889  0.783538  0.433687  1
  Al  Al20  1  0.657220  0.653936  0.454938  1
  Al  Al21  1  0.962721  0.913455  0.413224  1
  Al  Al22  1  0.541096  0.040111  0.448763  1
  Al  Al23  1  0.848038  0.299477  0.407589  1
  Al  Al24  1  0.194256  0.169238  0.427726  1
  Al  Al25  1  0.424916  0.395671  0.439701  1
  Al  Al26  1  0.772153  0.266264  0.460790  1
  Al  Al27  1  0.078532  0.526477  0.418466  1
  Al  Al28  1  0.352302  0.393479  0.496454  1
  Al  Al29  1  0.699479  0.264521  0.517324  1
  Al  Al30  1  0.005124  0.522437  0.475585  1
  Al  Al31  1  0.583791  0.650363  0.511455  1
  Al  Al32  1  0.890028  0.910258  0.469796  1
  Al  Al33  1  0.236831  0.780156  0.490554  1
  Al  Al34  1  0.467772  0.006802  0.502355  1
  Al  Al35  1  0.814575  0.876700  0.523112  1
  Al  Al36  1  0.120812  0.136595  0.481453  1
  Al  Al37  1  0.395714  1.003420  0.559221  1
  Al  Al38  1  0.741883  0.873503  0.579684  1
  Al  Al39  1  0.047384  0.133023  0.537970  1
  Al  Al40  1  0.626071  0.260481  0.574442  1
  Al  Al41  1  0.932450  0.520694  0.532118  1
  Al  Al42  1  0.279687  0.391287  0.553207  1
  Al  Al43  1  0.510348  0.617720  0.565182  1
  Al  Al44  1  0.856565  0.487481  0.585319  1
  Al  Al45  1  0.163507  0.746847  0.544145  1
  Al  Al46  1  0.437342  0.619758  0.622589  1
  Al  Al47  1  0.785732  0.475127  0.641106  1
  Al  Al48  1  0.089999  0.747628  0.600500  1
  Al  Al49  1  0.674518  0.872729  0.637719  1
  Al  Al50  1  0.975460  0.132857  0.594011  1
  Al  Al51  1  0.324199  0.004726  0.615340  1
  Al  Al52  1  0.552746  0.225600  0.628905  1
  Al  Al53  1  0.905610  0.100467  0.646714  1
  Al  Al54  1  0.207603  0.355890  0.607106  1
  Al  Al55  1  0.487170  0.249007  0.688627  1
  Al  Al56  1  0.826453  1.000234  0.700513  1
  Al  Al57  1  0.132071  0.366167  0.663717  1
  Al  Al58  1  0.735574  0.535842  0.696748  1
  Al  Al59  1  0.006585  0.737041  0.656904  1
  Al  Al60  1  0.356574  0.609276  0.678748  1
  Al  Al61  1  0.576373  0.855681  0.689424  1
  Al  Al62  1  0.013832  0.680502  0.710061  1
  Al  Al63  1  0.246804  0.970936  0.667294  1
  Ni  Ni64  1  0.442762  0.519696  0.291815  1
  Ni  Ni65  1  0.784970  0.407599  0.312677  1
  Ni  Ni66  1  0.130367  0.248779  0.333864  1
  Ni  Ni67  1  0.341967  0.866151  0.283440  1
  Ni  Ni68  1  0.657040  0.738548  0.304800  1
  Ni  Ni69  1  0.010629  0.600757  0.324146  1
  Ni  Ni70  1  0.480274  0.121552  0.355609  1
  Ni  Ni71  1  0.826744  0.994467  0.376509  1
  Ni  Ni72  1  0.171435  0.862689  0.396075  1
  Ni  Ni73  1  0.357607  0.480129  0.344998  1
  Ni  Ni74  1  0.706150  0.350709  0.367715  1
  Ni  Ni75  1  0.057915  0.220561  0.387405  1
  Ni  Ni76  1  0.519959  0.732499  0.417676  1
  Ni  Ni77  1  0.869131  0.603935  0.438571  1
  Ni  Ni78  1  0.215893  0.473837  0.459074  1
  Ni  Ni79  1  0.402901  0.092473  0.408302  1
  Ni  Ni80  1  0.751258  0.962414  0.429699  1
  Ni  Ni81  1  0.098752  0.831662  0.450265  1
  Ni  Ni82  1  0.563101  0.344266  0.480051  1
  Ni  Ni83  1  0.910860  0.214255  0.500909  1
  Ni  Ni84  1  0.259021  0.084504  0.521875  1
  Ni  Ni85  1  0.445582  0.702454  0.471034  1
  Ni  Ni86  1  0.793743  0.572703  0.491999  1
  Ni  Ni87  1  0.141503  0.442692  0.512857  1
  Ni  Ni88  1  0.605851  0.955296  0.542644  1
  Ni  Ni89  1  0.953345  0.824545  0.563209  1
  Ni  Ni90  1  0.301703  0.694485  0.584606  1
  Ni  Ni91  1  0.488710  0.313121  0.533834  1
  Ni  Ni92  1  0.835472  0.183023  0.554337  1
  Ni  Ni93  1  0.184644  0.054459  0.575232  1
  Ni  Ni94  1  0.646688  0.566397  0.605504  1
  Ni  Ni95  1  0.998453  0.436249  0.625193  1
  Ni  Ni96  1  0.346997  0.306829  0.647911  1
  Ni  Ni97  1  0.533168  0.924269  0.596833  1
  Ni  Ni98  1  0.877859  0.792491  0.616399  1
  Ni  Ni99  1  0.224329  0.665406  0.637299  1
  Ni  Ni100  1  0.693974  0.186202  0.668762  1
  Ni  Ni101  1  0.047563  0.048410  0.688108  1
  Ni  Ni102  1  0.362636  0.920807  0.709468  1
  Ni  Ni103  1  0.574236  0.538179  0.659045  1
  Ni  Ni104  1  0.919633  0.379359  0.680231  1
  Ni  Ni105  1  0.261842  0.267262  0.701093  1
