# generated using pymatgen
data_AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.00805217
_cell_length_b   8.88192784
_cell_length_c   46.93517871
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi
_chemical_formula_sum   'Al33 Ni33'
_cell_volume   1628.5492027
_cell_formula_units_Z   33
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  0.124567  0.824891  0.277718  1
  Al  Al2  1  0.281188  0.139182  0.290936  1
  Al  Al3  1  0.435318  0.447909  0.306467  1
  Al  Al4  1  0.594347  0.765821  0.322397  1
  Al  Al5  1  0.752010  0.081638  0.335992  1
  Al  Al6  1  0.910398  0.398968  0.348999  1
  Al  Al7  1  0.067210  0.713063  0.362393  1
  Al  Al8  1  0.224709  0.028589  0.376552  1
  Al  Al9  1  0.381956  0.343638  0.390479  1
  Al  Al10  1  0.539252  0.658778  0.404547  1
  Al  Al11  1  0.697102  0.975019  0.418593  1
  Al  Al12  1  0.854692  0.290785  0.432393  1
  Al  Al13  1  0.012020  0.606023  0.446156  1
  Al  Al14  1  0.169416  0.921384  0.460014  1
  Al  Al15  1  0.326915  0.236958  0.473958  1
  Al  Al16  1  0.484388  0.552481  0.487867  1
  Al  Al17  1  0.641881  0.868038  0.501784  1
  Al  Al18  1  0.799351  0.183550  0.515722  1
  Al  Al19  1  0.956815  0.499058  0.529641  1
  Al  Al20  1  0.114188  0.814378  0.543465  1
  Al  Al21  1  0.271611  0.129800  0.557264  1
  Al  Al22  1  0.429214  0.445588  0.571043  1
  Al  Al23  1  0.586944  0.761590  0.585099  1
  Al  Al24  1  0.744345  0.076935  0.599233  1
  Al  Al25  1  0.901589  0.391976  0.613253  1
  Al  Al26  1  0.058688  0.706726  0.627226  1
  Al  Al27  1  0.216046  0.021974  0.640322  1
  Al  Al28  1  0.374539  0.339455  0.653796  1
  Al  Al29  1  0.531428  0.653764  0.667504  1
  Al  Al30  1  0.690405  0.972128  0.682797  1
  Al  Al31  1  0.844340  0.279683  0.699426  1
  Al  Al32  1  0.002460  0.596658  0.712438  1
  Al  Al33  1  0.166034  0.925428  0.724739  1
  Ni  Ni34  1  0.544994  0.664741  0.274887  1
  Ni  Ni35  1  0.700365  0.977087  0.288460  1
  Ni  Ni36  1  0.857220  0.291425  0.301385  1
  Ni  Ni37  1  0.015826  0.608523  0.312997  1
  Ni  Ni38  1  0.174694  0.926613  0.327473  1
  Ni  Ni39  1  0.330586  0.239036  0.341593  1
  Ni  Ni40  1  0.487573  0.553642  0.355878  1
  Ni  Ni41  1  0.645563  0.870119  0.370357  1
  Ni  Ni42  1  0.803599  0.186672  0.383975  1
  Ni  Ni43  1  0.960944  0.501867  0.397487  1
  Ni  Ni44  1  0.118281  0.817063  0.411261  1
  Ni  Ni45  1  0.275925  0.132941  0.425287  1
  Ni  Ni46  1  0.433213  0.448125  0.439232  1
  Ni  Ni47  1  0.590622  0.763524  0.453178  1
  Ni  Ni48  1  0.748201  0.079249  0.467112  1
  Ni  Ni49  1  0.905700  0.394822  0.480987  1
  Ni  Ni50  1  0.063115  0.710223  0.494819  1
  Ni  Ni51  1  0.220566  0.025690  0.508671  1
  Ni  Ni52  1  0.378071  0.341269  0.522541  1
  Ni  Ni53  1  0.535626  0.656951  0.536459  1
  Ni  Ni54  1  0.693036  0.972361  0.550448  1
  Ni  Ni55  1  0.850374  0.287642  0.564432  1
  Ni  Ni56  1  0.007892  0.603261  0.578393  1
  Ni  Ni57  1  0.165205  0.918398  0.592067  1
  Ni  Ni58  1  0.322989  0.234452  0.605648  1
  Ni  Ni59  1  0.480628  0.550231  0.619305  1
  Ni  Ni60  1  0.638247  0.866044  0.633830  1
  Ni  Ni61  1  0.795840  0.181853  0.648327  1
  Ni  Ni62  1  0.951464  0.493697  0.662580  1
  Ni  Ni63  1  0.109636  0.810524  0.675983  1
  Ni  Ni64  1  0.269983  0.131047  0.687794  1
  Ni  Ni65  1  0.425766  0.442874  0.701607  1
  Ni  Ni66  1  0.581493  0.755463  0.715259  1
