# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.01009062
_cell_length_b   8.95229450
_cell_length_c   48.38399647
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   71.36087842
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al72 Ni24'
_cell_volume   3287.57635858
_cell_formula_units_Z   24
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  0.718922  0.283378  0.339428  1
  Al  Al2  1  0.878242  0.520550  0.320111  1
  Al  Al3  1  0.957316  0.231947  0.296288  1
  Al  Al4  1  0.108721  0.686359  0.305081  1
  Al  Al5  1  0.368933  0.479043  0.334940  1
  Al  Al6  1  0.449181  0.952379  0.348955  1
  Al  Al7  1  0.477829  0.186732  0.307961  1
  Al  Al8  1  0.537972  0.682650  0.313319  1
  Al  Al9  1  0.999302  0.994893  0.333058  1
  Al  Al10  1  0.150549  0.238949  0.345715  1
  Al  Al11  1  0.747281  0.883057  0.311455  1
  Al  Al12  1  0.275176  0.972896  0.302383  1
  Al  Al13  1  0.424717  0.089467  0.403691  1
  Al  Al14  1  0.632571  0.315526  0.393314  1
  Al  Al15  1  0.739958  1.001053  0.365907  1
  Al  Al16  1  0.859493  0.466064  0.373995  1
  Al  Al17  1  0.070811  0.269916  0.411876  1
  Al  Al18  1  0.163452  0.739211  0.419886  1
  Al  Al19  1  0.187155  0.942659  0.381752  1
  Al  Al20  1  0.271859  0.430081  0.388611  1
  Al  Al21  1  0.732789  0.786692  0.402391  1
  Al  Al22  1  0.869483  0.040715  0.419620  1
  Al  Al23  1  0.487456  0.647065  0.377549  1
  Al  Al24  1  0.037726  0.695492  0.364265  1
  Al  Al25  1  0.139878  0.876984  0.475663  1
  Al  Al26  1  0.347623  0.114313  0.464569  1
  Al  Al27  1  0.463134  0.790857  0.434582  1
  Al  Al28  1  0.566632  0.264468  0.446321  1
  Al  Al29  1  0.775767  0.060721  0.482311  1
  Al  Al30  1  0.879225  0.532956  0.492344  1
  Al  Al31  1  0.891870  0.743207  0.453183  1
  Al  Al32  1  0.994734  0.211351  0.464042  1
  Al  Al33  1  0.451804  0.582716  0.474276  1
  Al  Al34  1  0.582445  0.837843  0.489403  1
  Al  Al35  1  0.202959  0.449576  0.452033  1
  Al  Al36  1  0.761061  0.485133  0.438103  1
  Al  Al37  1  0.856633  0.669274  0.548087  1
  Al  Al38  1  0.064858  0.907499  0.536078  1
  Al  Al39  1  0.180368  0.585895  0.507776  1
  Al  Al40  1  0.283825  0.058129  0.517809  1
  Al  Al41  1  0.492960  0.854383  0.553799  1
  Al  Al42  1  0.596458  0.327993  0.565538  1
  Al  Al43  1  0.607788  0.536135  0.525844  1
  Al  Al44  1  0.711969  0.004537  0.535550  1
  Al  Al45  1  0.167722  0.375644  0.546937  1
  Al  Al46  1  0.298532  0.633717  0.562017  1
  Al  Al47  1  0.919714  0.241866  0.524457  1
  Al  Al48  1  0.477148  0.281007  0.510717  1
  Al  Al49  1  0.572136  0.471785  0.622571  1
  Al  Al50  1  0.787734  0.688769  0.611509  1
  Al  Al51  1  0.896140  0.379639  0.580234  1
  Al  Al52  1  0.988781  0.848934  0.588244  1
  Al  Al53  1  0.200099  0.652787  0.626125  1
  Al  Al54  1  0.319634  0.117797  0.634213  1
  Al  Al55  1  0.326804  0.332159  0.597729  1
  Al  Al56  1  0.427021  0.803324  0.606805  1
  Al  Al57  1  0.872437  0.176191  0.618368  1
  Al  Al58  1  0.021866  0.423358  0.635855  1
  Al  Al59  1  0.634876  0.029383  0.596429  1
  Al  Al60  1  0.190109  0.078135  0.580500  1
  Al  Al61  1  0.312312  0.235793  0.688665  1
  Al  Al62  1  0.521621  0.436200  0.686801  1
  Al  Al63  1  0.610411  0.166471  0.651165  1
  Al  Al64  1  0.690660  0.639807  0.665180  1
  Al  Al65  1  0.950871  0.432492  0.695038  1
  Al  Al66  1  0.102276  0.886903  0.703832  1
  Al  Al67  1  0.060290  0.123957  0.667062  1
  Al  Al68  1  0.181350  0.598301  0.680009  1
  Al  Al69  1  0.581763  0.932119  0.692159  1
  Al  Al70  1  0.784416  0.145955  0.697737  1
  Al  Al71  1  0.340670  0.835473  0.660692  1
  Al  Al72  1  0.909043  0.879901  0.654405  1
  Ni  Ni73  1  0.631462  0.408843  0.297008  1
  Ni  Ni74  1  0.174976  0.383248  0.302577  1
  Ni  Ni75  1  0.725702  0.729353  0.352660  1
  Ni  Ni76  1  0.272971  0.773746  0.340552  1
  Ni  Ni77  1  0.456271  0.219503  0.358708  1
  Ni  Ni78  1  0.927340  0.169065  0.375162  1
  Ni  Ni79  1  0.447361  0.523784  0.423970  1
  Ni  Ni80  1  0.995791  0.560620  0.412954  1
  Ni  Ni81  1  0.181038  0.006339  0.431257  1
  Ni  Ni82  1  0.628304  0.972399  0.442901  1
  Ni  Ni83  1  0.165095  0.319428  0.496980  1
  Ni  Ni84  1  0.711677  0.352223  0.485509  1
  Ni  Ni85  1  0.894498  0.799422  0.503140  1
  Ni  Ni86  1  0.347915  0.766627  0.514610  1
  Ni  Ni87  1  0.878554  0.112512  0.568863  1
  Ni  Ni88  1  0.431288  0.146452  0.557219  1
  Ni  Ni89  1  0.612231  0.595067  0.576150  1
  Ni  Ni90  1  0.063801  0.558230  0.587166  1
  Ni  Ni91  1  0.603321  0.899347  0.641411  1
  Ni  Ni92  1  0.132253  0.949785  0.624958  1
  Ni  Ni93  1  0.333891  0.389498  0.647459  1
  Ni  Ni94  1  0.786621  0.345104  0.659568  1
  Ni  Ni95  1  0.428130  0.710008  0.703112  1
  Ni  Ni96  1  0.884616  0.735602  0.697543  1
