# generated using pymatgen
data_AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04533817
_cell_length_b   8.99556683
_cell_length_c   47.28806951
_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   1677.2459571
_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  0.538623  0.655943  0.274772  1
  Al  Al2  1  0.699164  0.977814  0.286640  1
  Al  Al3  1  0.857175  0.294135  0.299626  1
  Al  Al4  1  0.012235  0.604220  0.315304  1
  Al  Al5  1  0.170954  0.921896  0.330498  1
  Al  Al6  1  0.328198  0.236648  0.344024  1
  Al  Al7  1  0.486670  0.553787  0.357301  1
  Al  Al8  1  0.644293  0.869260  0.370719  1
  Al  Al9  1  0.801917  0.184741  0.384701  1
  Al  Al10  1  0.959288  0.499713  0.398729  1
  Al  Al11  1  0.116854  0.815081  0.412867  1
  Al  Al12  1  0.274851  0.131306  0.426956  1
  Al  Al13  1  0.432613  0.447067  0.440768  1
  Al  Al14  1  0.590251  0.762579  0.454580  1
  Al  Al15  1  0.747856  0.078020  0.468459  1
  Al  Al16  1  0.905560  0.393662  0.482419  1
  Al  Al17  1  0.063253  0.709281  0.496368  1
  Al  Al18  1  0.220951  0.024912  0.510304  1
  Al  Al19  1  0.378660  0.340565  0.524243  1
  Al  Al20  1  0.536402  0.656282  0.538251  1
  Al  Al21  1  0.693990  0.971686  0.552152  1
  Al  Al22  1  0.851507  0.286957  0.565927  1
  Al  Al23  1  0.009333  0.602852  0.579732  1
  Al  Al24  1  0.167473  0.919354  0.593797  1
  Al  Al25  1  0.324884  0.234412  0.607888  1
  Al  Al26  1  0.482289  0.549468  0.621858  1
  Al  Al27  1  0.640313  0.865734  0.636231  1
  Al  Al28  1  0.797233  0.179763  0.649597  1
  Al  Al29  1  0.955932  0.497412  0.662380  1
  Al  Al30  1  0.113131  0.812095  0.675719  1
  Al  Al31  1  0.272405  0.130597  0.691612  1
  Al  Al32  1  0.428097  0.442288  0.706308  1
  Al  Al33  1  0.583490  0.753718  0.719560  1
  Ni  Ni34  1  0.120710  0.820502  0.283300  1
  Ni  Ni35  1  0.275688  0.131009  0.296639  1
  Ni  Ni36  1  0.432827  0.445432  0.309940  1
  Ni  Ni37  1  0.593056  0.765903  0.322352  1
  Ni  Ni38  1  0.750726  0.081512  0.335708  1
  Ni  Ni39  1  0.907042  0.394425  0.349716  1
  Ni  Ni40  1  0.064661  0.709909  0.364068  1
  Ni  Ni41  1  0.222821  0.026450  0.378605  1
  Ni  Ni42  1  0.380635  0.342295  0.392231  1
  Ni  Ni43  1  0.538361  0.657966  0.405838  1
  Ni  Ni44  1  0.696037  0.973546  0.419587  1
  Ni  Ni45  1  0.853770  0.289258  0.433607  1
  Ni  Ni46  1  0.011294  0.604551  0.447615  1
  Ni  Ni47  1  0.168938  0.920074  0.461614  1
  Ni  Ni48  1  0.326730  0.235887  0.475568  1
  Ni  Ni49  1  0.484480  0.551618  0.489473  1
  Ni  Ni50  1  0.642112  0.867116  0.503359  1
  Ni  Ni51  1  0.799726  0.182580  0.517222  1
  Ni  Ni52  1  0.957479  0.498319  0.531121  1
  Ni  Ni53  1  0.115303  0.814192  0.545062  1
  Ni  Ni54  1  0.272931  0.129681  0.559021  1
  Ni  Ni55  1  0.430385  0.444839  0.573018  1
  Ni  Ni56  1  0.588345  0.761000  0.587183  1
  Ni  Ni57  1  0.745834  0.076209  0.600982  1
  Ni  Ni58  1  0.903208  0.391193  0.614455  1
  Ni  Ni59  1  0.061597  0.708176  0.627975  1
  Ni  Ni60  1  0.219944  0.025052  0.642488  1
  Ni  Ni61  1  0.377070  0.339579  0.656675  1
  Ni  Ni62  1  0.533272  0.652305  0.670644  1
  Ni  Ni63  1  0.691855  0.969690  0.685250  1
  Ni  Ni64  1  0.851461  0.288902  0.696754  1
  Ni  Ni65  1  0.008093  0.602574  0.709526  1
  Ni  Ni66  1  0.161898  0.911212  0.722639  1
