# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.80906938
_cell_length_b   7.52194855
_cell_length_c   58.77343403
_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   'Al48 Ni16'
_cell_volume   2126.04507764
_cell_formula_units_Z   16
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  0.608882  0.766158  0.363850  1
  Al  Al2  1  0.129587  0.569358  0.346161  1
  Al  Al3  1  0.129587  0.962958  0.346161  1
  Al  Al4  1  0.630474  0.465012  0.330701  1
  Al  Al5  1  0.385194  0.572623  0.290937  1
  Al  Al6  1  0.878899  0.072582  0.273333  1
  Al  Al7  1  0.385194  0.959694  0.290937  1
  Al  Al8  1  0.878899  0.459735  0.273333  1
  Al  Al9  1  0.630474  0.067304  0.330701  1
  Al  Al10  1  0.902642  0.766158  0.308280  1
  Al  Al11  1  0.368165  0.266158  0.261659  1
  Al  Al12  1  0.113738  0.266158  0.312020  1
  Al  Al13  1  0.609764  0.766158  0.475204  1
  Al  Al14  1  0.130728  0.569423  0.457640  1
  Al  Al15  1  0.130728  0.962894  0.457640  1
  Al  Al16  1  0.630714  0.463033  0.441530  1
  Al  Al17  1  0.389720  0.569198  0.401931  1
  Al  Al18  1  0.889763  0.069601  0.385667  1
  Al  Al19  1  0.389720  0.963119  0.401931  1
  Al  Al20  1  0.889763  0.462715  0.385667  1
  Al  Al21  1  0.630714  0.069283  0.441530  1
  Al  Al22  1  0.910701  0.766158  0.419535  1
  Al  Al23  1  0.411543  0.266158  0.368375  1
  Al  Al24  1  0.110135  0.266158  0.423874  1
  Al  Al25  1  0.609389  0.766158  0.586463  1
  Al  Al26  1  0.131169  0.569601  0.569171  1
  Al  Al27  1  0.131169  0.962715  0.569171  1
  Al  Al28  1  0.631212  0.463119  0.552907  1
  Al  Al29  1  0.390218  0.569283  0.513308  1
  Al  Al30  1  0.890204  0.069423  0.497198  1
  Al  Al31  1  0.390218  0.963033  0.513308  1
  Al  Al32  1  0.890204  0.462894  0.497198  1
  Al  Al33  1  0.631212  0.069198  0.552907  1
  Al  Al34  1  0.910797  0.766158  0.530964  1
  Al  Al35  1  0.411168  0.266158  0.479634  1
  Al  Al36  1  0.110232  0.266158  0.535303  1
  Al  Al37  1  0.652767  0.766158  0.693179  1
  Al  Al38  1  0.142033  0.572582  0.681505  1
  Al  Al39  1  0.142033  0.959735  0.681505  1
  Al  Al40  1  0.635738  0.459694  0.663901  1
  Al  Al41  1  0.390458  0.567304  0.624137  1
  Al  Al42  1  0.891345  0.069358  0.608677  1
  Al  Al43  1  0.390458  0.965012  0.624137  1
  Al  Al44  1  0.891345  0.462958  0.608677  1
  Al  Al45  1  0.635738  0.072623  0.663901  1
  Al  Al46  1  0.907194  0.766158  0.642817  1
  Al  Al47  1  0.412050  0.266158  0.590987  1
  Al  Al48  1  0.118290  0.266158  0.646558  1
  Ni  Ni49  1  0.064653  0.766158  0.268075  1
  Ni  Ni50  1  0.423934  0.766158  0.324052  1
  Ni  Ni51  1  0.932535  0.266158  0.352217  1
  Ni  Ni52  1  0.604548  0.266158  0.298573  1
  Ni  Ni53  1  0.091058  0.766158  0.379582  1
  Ni  Ni54  1  0.428967  0.766158  0.435242  1
  Ni  Ni55  1  0.929590  0.266158  0.463846  1
  Ni  Ni56  1  0.592634  0.266158  0.408229  1
  Ni  Ni57  1  0.091342  0.766158  0.490991  1
  Ni  Ni58  1  0.428298  0.766158  0.546609  1
  Ni  Ni59  1  0.929875  0.266158  0.575256  1
  Ni  Ni60  1  0.591965  0.266158  0.519596  1
  Ni  Ni61  1  0.088397  0.766158  0.602621  1
  Ni  Ni62  1  0.416384  0.766158  0.656265  1
  Ni  Ni63  1  0.956279  0.266158  0.686763  1
  Ni  Ni64  1  0.596999  0.266158  0.630786  1
