# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.80721279
_cell_length_b   9.95492178
_cell_length_c   50.74935559
_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   2428.63209675
_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  0.434037  0.689776  0.328206  1
  Al  Al2  1  0.704844  0.392288  0.343271  1
  Al  Al3  1  0.612485  0.119131  0.297253  1
  Al  Al4  1  0.891673  0.619131  0.297253  1
  Al  Al5  1  0.210614  0.458019  0.327444  1
  Al  Al6  1  0.293544  0.958019  0.327444  1
  Al  Al7  1  0.097862  0.165443  0.274566  1
  Al  Al8  1  0.406295  0.665443  0.274566  1
  Al  Al9  1  0.799314  0.892288  0.343271  1
  Al  Al10  1  0.116751  0.889825  0.279941  1
  Al  Al11  1  0.387406  0.389825  0.279941  1
  Al  Al12  1  0.070121  0.189776  0.328206  1
  Al  Al13  1  0.432290  0.408963  0.416690  1
  Al  Al14  1  0.732410  0.097116  0.437394  1
  Al  Al15  1  0.729944  0.736589  0.390919  1
  Al  Al16  1  0.774213  0.236589  0.390919  1
  Al  Al17  1  0.234188  0.165942  0.416589  1
  Al  Al18  1  0.269970  0.665942  0.416589  1
  Al  Al19  1  0.229118  0.801445  0.370338  1
  Al  Al20  1  0.275039  0.301445  0.370338  1
  Al  Al21  1  0.771748  0.597116  0.437394  1
  Al  Al22  1  0.926973  0.490705  0.389575  1
  Al  Al23  1  0.577184  0.990705  0.389575  1
  Al  Al24  1  0.071868  0.908963  0.416690  1
  Al  Al25  1  0.434237  0.117016  0.507319  1
  Al  Al26  1  0.731779  0.806124  0.528213  1
  Al  Al27  1  0.732335  0.442274  0.481716  1
  Al  Al28  1  0.771823  0.942274  0.481716  1
  Al  Al29  1  0.232335  0.874389  0.506969  1
  Al  Al30  1  0.271823  0.374389  0.506969  1
  Al  Al31  1  0.231779  0.510538  0.460472  1
  Al  Al32  1  0.272379  0.010538  0.460472  1
  Al  Al33  1  0.772379  0.306124  0.528213  1
  Al  Al34  1  0.934237  0.199647  0.481366  1
  Al  Al35  1  0.569921  0.699647  0.481366  1
  Al  Al36  1  0.069921  0.617016  0.507319  1
  Al  Al37  1  0.426973  0.825958  0.599111  1
  Al  Al38  1  0.729118  0.515218  0.618347  1
  Al  Al39  1  0.734188  0.150721  0.572096  1
  Al  Al40  1  0.769970  0.650721  0.572096  1
  Al  Al41  1  0.229944  0.580074  0.597766  1
  Al  Al42  1  0.274213  0.080074  0.597766  1
  Al  Al43  1  0.232410  0.219546  0.551292  1
  Al  Al44  1  0.271748  0.719546  0.551292  1
  Al  Al45  1  0.775039  0.015218  0.618347  1
  Al  Al46  1  0.932290  0.907700  0.571996  1
  Al  Al47  1  0.571868  0.407700  0.571996  1
  Al  Al48  1  0.077184  0.325958  0.599111  1
  Al  Al49  1  0.616751  0.426838  0.708745  1
  Al  Al50  1  0.597862  0.151220  0.714120  1
  Al  Al51  1  0.710614  0.858644  0.661241  1
  Al  Al52  1  0.793544  0.358644  0.661241  1
  Al  Al53  1  0.112485  0.197532  0.691432  1
  Al  Al54  1  0.391673  0.697532  0.691432  1
  Al  Al55  1  0.204844  0.924374  0.645415  1
  Al  Al56  1  0.299314  0.424374  0.645415  1
  Al  Al57  1  0.906295  0.651220  0.714120  1
  Al  Al58  1  0.934037  0.626887  0.660479  1
  Al  Al59  1  0.570121  0.126887  0.660479  1
  Al  Al60  1  0.887406  0.926838  0.708745  1
  Ni  Ni61  1  0.642831  0.855397  0.297022  1
  Ni  Ni62  1  0.909583  0.634006  0.347814  1
  Ni  Ni63  1  0.594575  0.134006  0.347814  1
  Ni  Ni64  1  0.861327  0.355397  0.297022  1
  Ni  Ni65  1  0.416395  0.556458  0.371150  1
  Ni  Ni66  1  0.914701  0.340427  0.437873  1
  Ni  Ni67  1  0.589457  0.840427  0.437873  1
  Ni  Ni68  1  0.087762  0.056458  0.371150  1
  Ni  Ni69  1  0.416623  0.267797  0.460170  1
  Ni  Ni70  1  0.916623  0.048866  0.528515  1
  Ni  Ni71  1  0.587535  0.548866  0.528515  1
  Ni  Ni72  1  0.087535  0.767797  0.460170  1
  Ni  Ni73  1  0.414701  0.976236  0.550813  1
  Ni  Ni74  1  0.916395  0.760205  0.617536  1
  Ni  Ni75  1  0.587762  0.260205  0.617536  1
  Ni  Ni76  1  0.089457  0.476236  0.550813  1
  Ni  Ni77  1  0.409583  0.682657  0.640871  1
  Ni  Ni78  1  0.142831  0.461266  0.691664  1
  Ni  Ni79  1  0.361327  0.961266  0.691664  1
  Ni  Ni80  1  0.094575  0.182657  0.640871  1
