# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02559453
_cell_length_b   7.96385328
_cell_length_c   47.62596683
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al18 Ni54'
_cell_volume   1808.32196005
_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  0.488089  0.597849  0.294402  1
  Al  Al2  1  0.710452  0.042318  0.318950  1
  Al  Al3  1  0.933181  0.487587  0.343155  1
  Al  Al4  1  0.155857  0.932727  0.368174  1
  Al  Al5  1  0.377909  0.376632  0.393417  1
  Al  Al6  1  0.600264  0.821152  0.418513  1
  Al  Al7  1  0.822539  0.265512  0.443543  1
  Al  Al8  1  0.044857  0.709959  0.468579  1
  Al  Al9  1  0.267142  0.154338  0.493643  1
  Al  Al10  1  0.489402  0.598667  0.518695  1
  Al  Al11  1  0.711707  0.043088  0.543758  1
  Al  Al12  1  0.934036  0.487556  0.568813  1
  Al  Al13  1  0.156202  0.931694  0.593778  1
  Al  Al14  1  0.378859  0.376831  0.618984  1
  Al  Al15  1  0.600653  0.820205  0.644201  1
  Al  Al16  1  0.823398  0.265480  0.668749  1
  Al  Al17  1  0.046959  0.712358  0.694069  1
  Al  Al18  1  0.268191  0.154875  0.716955  1
  Ni  Ni19  1  0.988120  0.597899  0.293675  1
  Ni  Ni20  1  0.210863  0.043125  0.318616  1
  Ni  Ni21  1  0.597675  0.317871  0.305587  1
  Ni  Ni22  1  0.375763  0.875164  0.282251  1
  Ni  Ni23  1  0.098628  0.317863  0.305589  1
  Ni  Ni24  1  0.877950  0.875174  0.282252  1
  Ni  Ni25  1  0.432709  0.486639  0.343498  1
  Ni  Ni26  1  0.655809  0.932633  0.368476  1
  Ni  Ni27  1  0.044416  0.210756  0.355986  1
  Ni  Ni28  1  0.820958  0.764203  0.331330  1
  Ni  Ni29  1  0.545227  0.210760  0.355985  1
  Ni  Ni30  1  0.321921  0.764202  0.331331  1
  Ni  Ni31  1  0.878046  0.376909  0.393440  1
  Ni  Ni32  1  0.100332  0.821287  0.418432  1
  Ni  Ni33  1  0.488959  0.098897  0.405963  1
  Ni  Ni34  1  0.266493  0.654298  0.380973  1
  Ni  Ni35  1  0.989218  0.098896  0.405963  1
  Ni  Ni36  1  0.766899  0.654301  0.380972  1
  Ni  Ni37  1  0.322555  0.265543  0.443537  1
  Ni  Ni38  1  0.544834  0.709914  0.468601  1
  Ni  Ni39  1  0.933731  0.987731  0.456065  1
  Ni  Ni40  1  0.711393  0.543324  0.431025  1
  Ni  Ni41  1  0.433660  0.987731  0.456065  1
  Ni  Ni42  1  0.211401  0.543323  0.431025  1
  Ni  Ni43  1  0.767128  0.154312  0.493650  1
  Ni  Ni44  1  0.989415  0.598693  0.518688  1
  Ni  Ni45  1  0.378277  0.876512  0.506167  1
  Ni  Ni46  1  0.155969  0.432111  0.481119  1
  Ni  Ni47  1  0.878275  0.876512  0.506167  1
  Ni  Ni48  1  0.655993  0.432112  0.481119  1
  Ni  Ni49  1  0.211734  0.043143  0.543735  1
  Ni  Ni50  1  0.433998  0.487481  0.568817  1
  Ni  Ni51  1  0.822773  0.765225  0.556255  1
  Ni  Ni52  1  0.600594  0.320927  0.531229  1
  Ni  Ni53  1  0.322874  0.765225  0.556255  1
  Ni  Ni54  1  0.100563  0.320926  0.531229  1
  Ni  Ni55  1  0.656141  0.931573  0.593869  1
  Ni  Ni56  1  0.878725  0.376563  0.618914  1
  Ni  Ni57  1  0.267712  0.654189  0.606384  1
  Ni  Ni58  1  0.045233  0.209776  0.581335  1
  Ni  Ni59  1  0.767281  0.654190  0.606384  1
  Ni  Ni60  1  0.545151  0.209777  0.581335  1
  Ni  Ni61  1  0.100497  0.819888  0.643796  1
  Ni  Ni62  1  0.323941  0.266578  0.668319  1
  Ni  Ni63  1  0.712965  0.543804  0.656514  1
  Ni  Ni64  1  0.489682  0.097992  0.631302  1
  Ni  Ni65  1  0.212036  0.543799  0.656515  1
  Ni  Ni66  1  0.989307  0.097990  0.631302  1
  Ni  Ni67  1  0.546863  0.712178  0.694581  1
  Ni  Ni68  1  0.766459  0.151428  0.717806  1
  Ni  Ni69  1  0.156973  0.432104  0.706105  1
  Ni  Ni70  1  0.935100  0.987439  0.681063  1
  Ni  Ni71  1  0.656751  0.432112  0.706103  1
  Ni  Ni72  1  0.433731  0.987451  0.681063  1
