# generated using pymatgen
data_AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04139577
_cell_length_b   8.95892866
_cell_length_c   47.60677362
_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   1680.03377518
_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  0.128895  0.831998  0.272737  1
  Al  Al2  1  0.285238  0.145764  0.285469  1
  Al  Al3  1  0.436530  0.448928  0.302984  1
  Al  Al4  1  0.597252  0.770412  0.323059  1
  Al  Al5  1  0.752197  0.080821  0.336104  1
  Al  Al6  1  0.911865  0.400477  0.347643  1
  Al  Al7  1  0.069530  0.716025  0.360473  1
  Al  Al8  1  0.226847  0.031112  0.374366  1
  Al  Al9  1  0.383320  0.344626  0.388557  1
  Al  Al10  1  0.539915  0.658337  0.403197  1
  Al  Al11  1  0.698965  0.976832  0.417797  1
  Al  Al12  1  0.856438  0.292257  0.431133  1
  Al  Al13  1  0.013727  0.607270  0.444539  1
  Al  Al14  1  0.171251  0.922734  0.458317  1
  Al  Al15  1  0.328658  0.238031  0.472183  1
  Al  Al16  1  0.486171  0.553538  0.486150  1
  Al  Al17  1  0.643719  0.869099  0.500206  1
  Al  Al18  1  0.801324  0.184779  0.514251  1
  Al  Al19  1  0.958649  0.499918  0.528054  1
  Al  Al20  1  0.116197  0.815443  0.541832  1
  Al  Al21  1  0.273554  0.130584  0.555375  1
  Al  Al22  1  0.431015  0.445974  0.568689  1
  Al  Al23  1  0.589649  0.763669  0.583008  1
  Al  Al24  1  0.746751  0.078375  0.597758  1
  Al  Al25  1  0.903523  0.392445  0.612083  1
  Al  Al26  1  0.059859  0.705619  0.625774  1
  Al  Al27  1  0.218269  0.022735  0.638749  1
  Al  Al28  1  0.377810  0.342064  0.650810  1
  Al  Al29  1  0.532697  0.652348  0.663768  1
  Al  Al30  1  0.692695  0.972780  0.680975  1
  Al  Al31  1  0.844466  0.276569  0.701481  1
  Al  Al32  1  1.001084  0.590179  0.714249  1
  Al  Al33  1  0.166854  0.922795  0.722411  1
  Ni  Ni34  1  0.552721  0.678571  0.276313  1
  Ni  Ni35  1  0.701913  0.978649  0.289055  1
  Ni  Ni36  1  0.855611  0.286728  0.301487  1
  Ni  Ni37  1  0.020046  0.615584  0.310984  1
  Ni  Ni38  1  0.178217  0.932453  0.323837  1
  Ni  Ni39  1  0.331705  0.240011  0.338653  1
  Ni  Ni40  1  0.487706  0.552447  0.354036  1
  Ni  Ni41  1  0.647160  0.871558  0.370478  1
  Ni  Ni42  1  0.805483  0.188649  0.383210  1
  Ni  Ni43  1  0.962599  0.503405  0.395960  1
  Ni  Ni44  1  0.120186  0.819008  0.409505  1
  Ni  Ni45  1  0.277673  0.134484  0.423422  1
  Ni  Ni46  1  0.434495  0.448621  0.437559  1
  Ni  Ni47  1  0.592095  0.764234  0.451705  1
  Ni  Ni48  1  0.750169  0.080802  0.465894  1
  Ni  Ni49  1  0.907558  0.396068  0.479516  1
  Ni  Ni50  1  0.064948  0.711326  0.493187  1
  Ni  Ni51  1  0.222411  0.026719  0.506910  1
  Ni  Ni52  1  0.379789  0.341962  0.520558  1
  Ni  Ni53  1  0.537689  0.658201  0.534604  1
  Ni  Ni54  1  0.695433  0.974099  0.548802  1
  Ni  Ni55  1  0.852439  0.288582  0.563005  1
  Ni  Ni56  1  0.009657  0.603528  0.576801  1
  Ni  Ni57  1  0.167165  0.919000  0.590461  1
  Ni  Ni58  1  0.324810  0.234771  0.603393  1
  Ni  Ni59  1  0.482738  0.551076  0.616138  1
  Ni  Ni60  1  0.641122  0.868170  0.631793  1
  Ni  Ni61  1  0.799343  0.184927  0.647558  1
  Ni  Ni62  1  0.952162  0.491131  0.662907  1
  Ni  Ni63  1  0.108300  0.804013  0.674734  1
  Ni  Ni64  1  0.273793  0.135120  0.685658  1
  Ni  Ni65  1  0.428920  0.445603  0.697923  1
  Ni  Ni66  1  0.580817  0.750352  0.710653  1
