# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55606679
_cell_length_b   12.81409269
_cell_length_c   47.58394389
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al21 Ni63'
_cell_volume   2168.29418225
_cell_formula_units_Z   21
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  0.502151  0.336702  0.338019  1
  Al  Al2  1  0.502151  0.104381  0.297264  1
  Al  Al3  1  0.502151  0.720906  0.317982  1
  Al  Al4  1  0.502151  0.183702  0.400299  1
  Al  Al5  1  0.502151  0.953056  0.358254  1
  Al  Al6  1  0.502151  0.568392  0.379213  1
  Al  Al7  1  0.502151  0.028664  0.463005  1
  Al  Al8  1  0.502151  0.798738  0.421387  1
  Al  Al9  1  0.502151  0.413643  0.442081  1
  Al  Al10  1  0.502151  0.873763  0.525810  1
  Al  Al11  1  0.502151  0.643656  0.483926  1
  Al  Al12  1  0.502151  0.258632  0.504755  1
  Al  Al13  1  0.502151  0.718693  0.588430  1
  Al  Al14  1  0.502151  0.488701  0.546585  1
  Al  Al15  1  0.502151  0.103663  0.567514  1
  Al  Al16  1  0.502151  0.564351  0.651154  1
  Al  Al17  1  0.502151  0.333551  0.609184  1
  Al  Al18  1  0.502151  0.948955  0.630588  1
  Al  Al19  1  0.502151  0.412709  0.711168  1
  Al  Al20  1  0.502151  0.182263  0.671723  1
  Al  Al21  1  0.502151  0.797279  0.692118  1
  Ni  Ni22  1  0.502151  0.528770  0.327381  1
  Ni  Ni23  1  0.502151  0.296286  0.286929  1
  Ni  Ni24  1  0.502151  0.912962  0.306455  1
  Ni  Ni25  1  1.002151  0.604599  0.297011  1
  Ni  Ni26  1  1.002151  0.219937  0.317298  1
  Ni  Ni27  1  1.002151  0.837269  0.338259  1
  Ni  Ni28  1  1.002151  0.412975  0.306457  1
  Ni  Ni29  1  1.002151  0.028898  0.327396  1
  Ni  Ni30  1  1.002151  0.797947  0.287318  1
  Ni  Ni31  1  0.502151  0.376178  0.389855  1
  Ni  Ni32  1  0.502151  0.145406  0.348517  1
  Ni  Ni33  1  0.502151  0.760970  0.369296  1
  Ni  Ni34  1  1.002151  0.452720  0.358564  1
  Ni  Ni35  1  1.002151  0.068106  0.379423  1
  Ni  Ni36  1  1.002151  0.683549  0.400498  1
  Ni  Ni37  1  1.002151  0.260899  0.368988  1
  Ni  Ni38  1  1.002151  0.876199  0.390000  1
  Ni  Ni39  1  1.002151  0.645379  0.348603  1
  Ni  Ni40  1  0.502151  0.221134  0.452531  1
  Ni  Ni41  1  0.502151  0.991086  0.410699  1
  Ni  Ni42  1  0.502151  0.606051  0.431632  1
  Ni  Ni43  1  1.002151  0.298682  0.421199  1
  Ni  Ni44  1  1.002151  0.913753  0.442185  1
  Ni  Ni45  1  1.002151  0.528643  0.462984  1
  Ni  Ni46  1  1.002151  0.106119  0.431627  1
  Ni  Ni47  1  1.002151  0.721162  0.452658  1
  Ni  Ni48  1  1.002151  0.491186  0.410696  1
  Ni  Ni49  1  0.502151  0.066163  0.515265  1
  Ni  Ni50  1  0.502151  0.836246  0.473572  1
  Ni  Ni51  1  0.502151  0.451166  0.494333  1
  Ni  Ni52  1  1.002151  0.143625  0.483878  1
  Ni  Ni53  1  1.002151  0.758719  0.504879  1
  Ni  Ni54  1  1.002151  0.373660  0.525656  1
  Ni  Ni55  1  1.002151  0.951222  0.494423  1
  Ni  Ni56  1  1.002151  0.566185  0.515256  1
  Ni  Ni57  1  1.002151  0.336154  0.473428  1
  Ni  Ni58  1  0.502151  0.911342  0.578109  1
  Ni  Ni59  1  0.502151  0.681200  0.536183  1
  Ni  Ni60  1  0.502151  0.296130  0.556973  1
  Ni  Ni61  1  0.002151  0.988713  0.546681  1
  Ni  Ni62  1  1.002151  0.603713  0.567528  1
  Ni  Ni63  1  1.002151  0.218531  0.588297  1
  Ni  Ni64  1  0.002151  0.796251  0.557110  1
  Ni  Ni65  1  1.002151  0.411143  0.577876  1
  Ni  Ni66  1  1.002151  0.181121  0.536105  1
  Ni  Ni67  1  0.502151  0.756681  0.640488  1
  Ni  Ni68  1  0.502151  0.526333  0.598851  1
  Ni  Ni69  1  0.502151  0.141232  0.619787  1
  Ni  Ni70  1  1.002151  0.833969  0.609266  1
  Ni  Ni71  1  1.002151  0.449330  0.629976  1
  Ni  Ni72  1  1.002151  0.065033  0.650841  1
  Ni  Ni73  1  1.002151  0.641486  0.619839  1
  Ni  Ni74  1  1.002151  0.256605  0.640318  1
  Ni  Ni75  1  1.002151  0.026155  0.598941  1
  Ni  Ni76  1  0.502151  0.605852  0.702880  1
  Ni  Ni77  1  0.502151  0.372379  0.660659  1
  Ni  Ni78  1  0.502151  0.990553  0.681924  1
  Ni  Ni79  1  1.002151  0.681408  0.671859  1
  Ni  Ni80  1  1.002151  0.297654  0.692096  1
  Ni  Ni81  1  1.002151  0.915023  0.711804  1
  Ni  Ni82  1  1.002151  0.489978  0.681775  1
  Ni  Ni83  1  1.002151  0.106169  0.702669  1
  Ni  Ni84  1  1.002151  0.872338  0.661087  1
