# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95125353
_cell_length_b   7.80988826
_cell_length_c   47.03738181
_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   1725.53741374
_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  0.884784  0.386310  0.281329  1
  Al  Al2  1  0.104529  0.825561  0.304124  1
  Al  Al3  1  0.327633  0.272027  0.331983  1
  Al  Al4  1  0.549504  0.716017  0.354847  1
  Al  Al5  1  0.771329  0.159850  0.379062  1
  Al  Al6  1  0.994405  0.606117  0.405192  1
  Al  Al7  1  0.214985  0.047463  0.430552  1
  Al  Al8  1  0.436834  0.491357  0.455602  1
  Al  Al9  1  0.658929  0.935740  0.480823  1
  Al  Al10  1  0.880459  0.379011  0.506000  1
  Al  Al11  1  0.102279  0.822853  0.531241  1
  Al  Al12  1  0.324340  0.267165  0.556415  1
  Al  Al13  1  0.545417  0.709514  0.581484  1
  Al  Al14  1  0.767481  0.153770  0.607214  1
  Al  Al15  1  0.989806  0.598568  0.632816  1
  Al  Al16  1  0.210841  0.040806  0.656131  1
  Al  Al17  1  0.433243  0.485764  0.681454  1
  Al  Al18  1  0.657690  0.934923  0.706624  1
  Ni  Ni19  1  0.381764  0.380253  0.285002  1
  Ni  Ni20  1  0.608660  0.833807  0.306275  1
  Ni  Ni21  1  0.214806  0.549147  0.318423  1
  Ni  Ni22  1  0.991610  0.110275  0.295563  1
  Ni  Ni23  1  0.717543  0.549207  0.318416  1
  Ni  Ni24  1  0.502119  0.110274  0.295559  1
  Ni  Ni25  1  0.830085  0.276956  0.329866  1
  Ni  Ni26  1  0.050231  0.717429  0.354278  1
  Ni  Ni27  1  0.662787  0.440494  0.367981  1
  Ni  Ni28  1  0.435340  0.991448  0.341914  1
  Ni  Ni29  1  0.160681  0.440470  0.367986  1
  Ni  Ni30  1  0.939258  0.991457  0.341915  1
  Ni  Ni31  1  0.270680  0.158530  0.380652  1
  Ni  Ni32  1  0.493918  0.605122  0.405415  1
  Ni  Ni33  1  0.102935  0.325776  0.417715  1
  Ni  Ni34  1  0.882328  0.882475  0.392470  1
  Ni  Ni35  1  0.605421  0.325786  0.417713  1
  Ni  Ni36  1  0.382945  0.882457  0.392474  1
  Ni  Ni37  1  0.715282  0.048054  0.430128  1
  Ni  Ni38  1  0.937074  0.491835  0.455579  1
  Ni  Ni39  1  0.548174  0.213542  0.468182  1
  Ni  Ni40  1  0.326264  0.769981  0.443137  1
  Ni  Ni41  1  0.047605  0.213538  0.468184  1
  Ni  Ni42  1  0.826128  0.769987  0.443136  1
  Ni  Ni43  1  0.158883  0.935649  0.480917  1
  Ni  Ni44  1  0.380451  0.378995  0.505983  1
  Ni  Ni45  1  0.991346  0.101120  0.518672  1
  Ni  Ni46  1  0.769627  0.657263  0.493407  1
  Ni  Ni47  1  0.491566  0.101124  0.518670  1
  Ni  Ni48  1  0.269649  0.657261  0.493408  1
  Ni  Ni49  1  0.602233  0.822763  0.531175  1
  Ni  Ni50  1  0.824102  0.266692  0.556559  1
  Ni  Ni51  1  0.435506  0.988590  0.569004  1
  Ni  Ni52  1  0.212840  0.544601  0.543758  1
  Ni  Ni53  1  0.934512  0.988580  0.569006  1
  Ni  Ni54  1  0.713359  0.544602  0.543758  1
  Ni  Ni55  1  0.045472  0.709637  0.581706  1
  Ni  Ni56  1  0.267971  0.154777  0.606513  1
  Ni  Ni57  1  0.877419  0.875063  0.619084  1
  Ni  Ni58  1  0.657888  0.432602  0.594396  1
  Ni  Ni59  1  0.378707  0.875081  0.619080  1
  Ni  Ni60  1  0.155947  0.432605  0.594395  1
  Ni  Ni61  1  0.489234  0.597466  0.631958  1
  Ni  Ni62  1  0.711363  0.041858  0.657215  1
  Ni  Ni63  1  0.327371  0.766665  0.669258  1
  Ni  Ni64  1  0.100906  0.319872  0.644510  1
  Ni  Ni65  1  0.820112  0.766642  0.669260  1
  Ni  Ni66  1  0.599887  0.319890  0.644504  1
  Ni  Ni67  1  0.931355  0.481983  0.682025  1
  Ni  Ni68  1  0.154525  0.928606  0.704043  1
  Ni  Ni69  1  0.784046  0.660899  0.714841  1
  Ni  Ni70  1  0.548676  0.207804  0.691983  1
  Ni  Ni71  1  0.257559  0.660923  0.714841  1
  Ni  Ni72  1  0.039745  0.207766  0.691991  1
