# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64989362
_cell_length_b   6.69933103
_cell_length_c   52.33672871
_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   'Al36 Ni12'
_cell_volume   1630.35067882
_cell_formula_units_Z   12
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  0.444229  0.013681  0.335667  1
  Al  Al2  1  0.908762  0.164131  0.356583  1
  Al  Al3  1  0.032796  0.195964  0.306578  1
  Al  Al4  1  0.415791  0.313196  0.372295  1
  Al  Al5  1  0.630507  0.664131  0.356583  1
  Al  Al6  1  0.128246  0.809415  0.428290  1
  Al  Al7  1  0.506473  0.695964  0.306578  1
  Al  Al8  1  0.123477  0.813196  0.372295  1
  Al  Al9  1  0.411022  0.309415  0.428290  1
  Al  Al10  1  0.095039  0.513681  0.335667  1
  Al  Al11  1  0.612072  0.966739  0.398276  1
  Al  Al12  1  0.927196  0.466739  0.398276  1
  Al  Al13  1  0.426375  0.005689  0.472798  1
  Al  Al14  1  0.910619  0.162685  0.500993  1
  Al  Al15  1  0.909772  0.163020  0.444270  1
  Al  Al16  1  0.410619  0.308651  0.516834  1
  Al  Al17  1  0.628649  0.662685  0.500993  1
  Al  Al18  1  0.129496  0.808316  0.573557  1
  Al  Al19  1  0.629496  0.663020  0.444270  1
  Al  Al20  1  0.128649  0.808651  0.516834  1
  Al  Al21  1  0.409772  0.308316  0.573557  1
  Al  Al22  1  0.112893  0.505689  0.472798  1
  Al  Al23  1  0.612893  0.965647  0.545028  1
  Al  Al24  1  0.926375  0.465647  0.545028  1
  Al  Al25  1  0.427196  0.004597  0.619550  1
  Al  Al26  1  0.915791  0.158140  0.645531  1
  Al  Al27  1  0.911022  0.161921  0.589537  1
  Al  Al28  1  0.408762  0.307205  0.661244  1
  Al  Al29  1  0.623477  0.658140  0.645531  1
  Al  Al30  1  1.006473  0.775372  0.711249  1
  Al  Al31  1  0.628246  0.661921  0.589537  1
  Al  Al32  1  0.130507  0.807205  0.661244  1
  Al  Al33  1  0.532796  0.275372  0.711249  1
  Al  Al34  1  0.112072  0.504597  0.619550  1
  Al  Al35  1  0.595039  0.957655  0.682159  1
  Al  Al36  1  0.944229  0.457655  0.682159  1
  Ni  Ni37  1  0.956145  0.860141  0.326562  1
  Ni  Ni38  1  0.583123  0.360141  0.326562  1
  Ni  Ni39  1  0.099449  0.112756  0.400232  1
  Ni  Ni40  1  0.439819  0.612756  0.400232  1
  Ni  Ni41  1  0.939577  0.861096  0.472614  1
  Ni  Ni42  1  0.599692  0.361096  0.472614  1
  Ni  Ni43  1  0.099692  0.110240  0.545212  1
  Ni  Ni44  1  0.439577  0.610240  0.545212  1
  Ni  Ni45  1  0.939819  0.858580  0.617595  1
  Ni  Ni46  1  0.599449  0.358580  0.617595  1
  Ni  Ni47  1  0.083123  0.111195  0.691264  1
  Ni  Ni48  1  0.456145  0.611195  0.691264  1
