# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98625795
_cell_length_b   7.86403175
_cell_length_c   47.20687112
_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   1756.08879171
_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  0.564921  0.617881  0.287973  1
  Al  Al2  1  0.785527  0.059809  0.312790  1
  Al  Al3  1  0.003253  0.503782  0.336135  1
  Al  Al4  1  0.225627  0.949463  0.361440  1
  Al  Al5  1  0.447465  0.392643  0.386393  1
  Al  Al6  1  0.668967  0.836594  0.411484  1
  Al  Al7  1  0.890983  0.281144  0.436459  1
  Al  Al8  1  0.112882  0.725061  0.461410  1
  Al  Al9  1  0.334834  0.169160  0.486464  1
  Al  Al10  1  0.556756  0.613249  0.511461  1
  Al  Al11  1  0.778653  0.057349  0.536514  1
  Al  Al12  1  1.000417  0.501267  0.561465  1
  Al  Al13  1  0.222718  0.945816  0.586441  1
  Al  Al14  1  0.444888  0.389762  0.611534  1
  Al  Al15  1  0.665943  0.832938  0.636484  1
  Al  Al16  1  0.888998  0.278640  0.661786  1
  Al  Al17  1  0.114871  0.722582  0.685133  1
  Al  Al18  1  0.336005  0.164400  0.709960  1
  Ni  Ni19  1  0.063120  0.621326  0.285750  1
  Ni  Ni20  1  0.278342  0.058797  0.310829  1
  Ni  Ni21  1  0.169813  0.336404  0.297645  1
  Ni  Ni22  1  0.392210  0.782573  0.324419  1
  Ni  Ni23  1  0.671574  0.333686  0.297706  1
  Ni  Ni24  1  0.466583  0.900727  0.275060  1
  Ni  Ni25  1  0.502794  0.502167  0.336440  1
  Ni  Ni26  1  0.725390  0.948627  0.361895  1
  Ni  Ni27  1  0.613872  0.226306  0.348742  1
  Ni  Ni28  1  0.836444  0.670381  0.373780  1
  Ni  Ni29  1  0.116041  0.227754  0.348986  1
  Ni  Ni30  1  0.894509  0.783344  0.323953  1
  Ni  Ni31  1  0.946858  0.392735  0.386320  1
  Ni  Ni32  1  0.169058  0.836917  0.411347  1
  Ni  Ni33  1  0.058495  0.115328  0.399033  1
  Ni  Ni34  1  0.279840  0.558747  0.423909  1
  Ni  Ni35  1  0.558087  0.115311  0.398978  1
  Ni  Ni36  1  0.335656  0.669923  0.373898  1
  Ni  Ni37  1  0.391091  0.281137  0.436485  1
  Ni  Ni38  1  0.612849  0.724978  0.461448  1
  Ni  Ni39  1  0.501891  0.002997  0.448941  1
  Ni  Ni40  1  0.723930  0.447183  0.473956  1
  Ni  Ni41  1  1.001970  0.002987  0.448957  1
  Ni  Ni42  1  0.780069  0.558885  0.423883  1
  Ni  Ni43  1  0.834792  0.169130  0.486463  1
  Ni  Ni44  1  0.056745  0.613280  0.511461  1
  Ni  Ni45  1  0.945768  0.891200  0.498966  1
  Ni  Ni46  1  0.167632  0.335251  0.523963  1
  Ni  Ni47  1  0.445773  0.891209  0.498958  1
  Ni  Ni48  1  0.223836  0.447159  0.473961  1
  Ni  Ni49  1  0.278703  0.057432  0.536477  1
  Ni  Ni50  1  0.500528  0.501271  0.561440  1
  Ni  Ni51  1  0.389695  0.779423  0.548967  1
  Ni  Ni52  1  0.611638  0.223522  0.574043  1
  Ni  Ni53  1  0.889605  0.779411  0.548983  1
  Ni  Ni54  1  0.667701  0.335225  0.523969  1
  Ni  Ni55  1  0.722493  0.945492  0.586577  1
  Ni  Ni56  1  0.944201  0.389679  0.611603  1
  Ni  Ni57  1  0.832968  0.667091  0.598946  1
  Ni  Ni58  1  0.055701  0.112494  0.624025  1
  Ni  Ni59  1  0.333365  0.667086  0.598892  1
  Ni  Ni60  1  0.111550  0.223665  0.574015  1
  Ni  Ni61  1  0.166533  0.833780  0.636030  1
  Ni  Ni62  1  0.390133  0.280219  0.661489  1
  Ni  Ni63  1  0.277934  0.554670  0.648939  1
  Ni  Ni64  1  0.500514  0.999046  0.673973  1
  Ni  Ni65  1  0.777177  0.556084  0.649183  1
  Ni  Ni66  1  0.556023  0.112020  0.624147  1
  Ni  Ni67  1  0.608745  0.723605  0.687102  1
  Ni  Ni68  1  0.830908  0.161160  0.712171  1
  Ni  Ni69  1  0.726936  0.448673  0.700223  1
  Ni  Ni70  1  0.954845  0.881641  0.722872  1
  Ni  Ni71  1  0.222528  0.446015  0.700278  1
  Ni  Ni72  1  0.998958  0.999831  0.673505  1
