# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86934792
_cell_length_b   9.81371838
_cell_length_c   53.74343394
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al60 Ni20'
_cell_volume   2568.20572497
_cell_formula_units_Z   20
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  0.602876  0.136772  0.336653  1
  Al  Al2  1  0.113616  0.096531  0.306563  1
  Al  Al3  1  0.129169  0.313057  0.341950  1
  Al  Al4  1  0.609273  0.108497  0.281899  1
  Al  Al5  1  0.371584  0.875791  0.351540  1
  Al  Al6  1  0.886989  0.665147  0.292460  1
  Al  Al7  1  0.385822  0.532779  0.294572  1
  Al  Al8  1  0.872026  0.874461  0.330082  1
  Al  Al9  1  0.625069  0.439631  0.338420  1
  Al  Al10  1  0.902337  0.361065  0.294630  1
  Al  Al11  1  0.382219  0.840273  0.298049  1
  Al  Al12  1  0.109049  0.611366  0.340895  1
  Al  Al13  1  0.608128  0.701334  0.428308  1
  Al  Al14  1  0.131297  0.659083  0.396456  1
  Al  Al15  1  0.129957  0.877858  0.432337  1
  Al  Al16  1  0.632673  0.660560  0.372749  1
  Al  Al17  1  0.378413  0.440162  0.442466  1
  Al  Al18  1  0.874766  0.221602  0.383790  1
  Al  Al19  1  0.376847  0.096809  0.386602  1
  Al  Al20  1  0.878734  0.440966  0.419100  1
  Al  Al21  1  0.628886  0.003359  0.429371  1
  Al  Al22  1  0.899397  0.921137  0.383442  1
  Al  Al23  1  0.400369  0.399192  0.387710  1
  Al  Al24  1  0.106861  0.179032  0.433027  1
  Al  Al25  1  0.607942  0.264233  0.519512  1
  Al  Al26  1  0.129770  0.221674  0.487950  1
  Al  Al27  1  0.130155  0.440660  0.523434  1
  Al  Al28  1  0.629884  0.222140  0.464721  1
  Al  Al29  1  0.378401  0.002673  0.533498  1
  Al  Al30  1  0.878129  0.784153  0.474785  1
  Al  Al31  1  0.378276  0.659288  0.477770  1
  Al  Al32  1  0.878515  0.003139  0.510268  1
  Al  Al33  1  0.630009  0.565526  0.520448  1
  Al  Al34  1  0.900564  0.483470  0.473994  1
  Al  Al35  1  0.400343  0.960581  0.478707  1
  Al  Al36  1  0.107721  0.741343  0.524225  1
  Al  Al37  1  0.607916  0.825621  0.610509  1
  Al  Al38  1  0.129551  0.783847  0.579118  1
  Al  Al39  1  0.133519  0.003211  0.614429  1
  Al  Al40  1  0.629872  0.784652  0.555752  1
  Al  Al41  1  0.375612  0.564253  0.625470  1
  Al  Al42  1  0.878328  0.346956  0.565882  1
  Al  Al43  1  0.379399  0.221454  0.568847  1
  Al  Al44  1  0.876988  0.565731  0.601763  1
  Al  Al45  1  0.631438  0.128004  0.611617  1
  Al  Al46  1  0.901424  0.045781  0.565192  1
  Al  Al47  1  0.400157  0.523479  0.569911  1
  Al  Al48  1  0.108888  0.303676  0.614777  1
  Al  Al49  1  0.626066  0.384540  0.700170  1
  Al  Al50  1  0.136259  0.350353  0.668136  1
  Al  Al51  1  0.121296  0.559667  0.705759  1
  Al  Al52  1  0.636701  0.349022  0.646679  1
  Al  Al53  1  0.399012  0.116316  0.716320  1
  Al  Al54  1  0.879116  0.911757  0.656269  1
  Al  Al55  1  0.383216  0.785183  0.659799  1
  Al  Al56  1  0.894669  0.128282  0.691656  1
  Al  Al57  1  0.622463  0.692034  0.703647  1
  Al  Al58  1  0.899236  0.613448  0.657324  1
  Al  Al59  1  0.405409  0.088041  0.661565  1
  Al  Al60  1  0.105948  0.863748  0.703589  1
  Ni  Ni61  1  0.077935  0.074291  0.350854  1
  Ni  Ni62  1  0.412832  0.296905  0.305169  1
  Ni  Ni63  1  0.878993  0.904493  0.286714  1
  Ni  Ni64  1  0.580814  0.677678  0.327740  1
  Ni  Ni65  1  0.083743  0.638280  0.441480  1
  Ni  Ni66  1  0.425906  0.856952  0.396193  1
  Ni  Ni67  1  0.924756  0.461722  0.374271  1
  Ni  Ni68  1  0.581484  0.242961  0.419923  1
  Ni  Ni69  1  0.082992  0.200780  0.532759  1
  Ni  Ni70  1  0.425485  0.419729  0.487270  1
  Ni  Ni71  1  0.925293  0.024034  0.465459  1
  Ni  Ni72  1  0.582800  0.805084  0.510949  1
  Ni  Ni73  1  0.083529  0.763091  0.623947  1
  Ni  Ni74  1  0.426801  0.981852  0.578296  1
  Ni  Ni75  1  0.924542  0.586533  0.556739  1
  Ni  Ni76  1  0.582379  0.367862  0.602026  1
  Ni  Ni77  1  0.129292  0.320320  0.711504  1
  Ni  Ni78  1  0.427471  0.547135  0.670479  1
  Ni  Ni79  1  0.930350  0.150523  0.647365  1
  Ni  Ni80  1  0.595453  0.927909  0.693050  1
