# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88931982
_cell_length_b   6.85122329
_cell_length_c   47.98080581
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al33 Ni22'
_cell_volume   1607.25248459
_cell_formula_units_Z   11
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  0.500906  0.502936  0.286571  1
  Al  Al2  1  0.853172  0.826687  0.288625  1
  Al  Al3  1  0.148639  0.179185  0.288625  1
  Al  Al4  1  0.500906  0.002936  0.331864  1
  Al  Al5  1  0.851202  0.335192  0.331387  1
  Al  Al6  1  0.150610  0.670681  0.331387  1
  Al  Al7  1  0.500906  0.502936  0.372491  1
  Al  Al8  1  0.849710  0.834799  0.372483  1
  Al  Al9  1  0.152101  0.171073  0.372483  1
  Al  Al10  1  0.500906  0.002936  0.414388  1
  Al  Al11  1  0.851705  0.335237  0.414341  1
  Al  Al12  1  0.150107  0.670635  0.414341  1
  Al  Al13  1  0.500906  0.502936  0.455898  1
  Al  Al14  1  0.850693  0.835118  0.455913  1
  Al  Al15  1  0.151118  0.170755  0.455913  1
  Al  Al16  1  0.500906  0.002936  0.497547  1
  Al  Al17  1  0.851180  0.335163  0.497547  1
  Al  Al18  1  0.150631  0.670710  0.497547  1
  Al  Al19  1  0.500906  0.502936  0.539196  1
  Al  Al20  1  0.850693  0.835118  0.539181  1
  Al  Al21  1  0.151118  0.170755  0.539181  1
  Al  Al22  1  0.500906  0.002936  0.580706  1
  Al  Al23  1  0.851705  0.335237  0.580753  1
  Al  Al24  1  0.150107  0.670635  0.580753  1
  Al  Al25  1  0.500906  0.502936  0.622603  1
  Al  Al26  1  0.849710  0.834799  0.622611  1
  Al  Al27  1  0.152101  0.171073  0.622611  1
  Al  Al28  1  0.500906  0.002936  0.663230  1
  Al  Al29  1  0.851202  0.335192  0.663707  1
  Al  Al30  1  0.150610  0.670681  0.663707  1
  Al  Al31  1  0.500906  0.502936  0.708523  1
  Al  Al32  1  0.853172  0.826687  0.706469  1
  Al  Al33  1  0.148639  0.179185  0.706469  1
  Ni  Ni34  1  0.351053  0.843858  0.290293  1
  Ni  Ni35  1  0.650759  0.162015  0.290293  1
  Ni  Ni36  1  0.352318  0.338976  0.330551  1
  Ni  Ni37  1  0.649493  0.666897  0.330551  1
  Ni  Ni38  1  0.348400  0.836214  0.372962  1
  Ni  Ni39  1  0.653412  0.169658  0.372962  1
  Ni  Ni40  1  0.350188  0.336848  0.414223  1
  Ni  Ni41  1  0.651623  0.669025  0.414223  1
  Ni  Ni42  1  0.349419  0.836600  0.455952  1
  Ni  Ni43  1  0.652393  0.169272  0.455952  1
  Ni  Ni44  1  0.349858  0.336769  0.497547  1
  Ni  Ni45  1  0.651953  0.669104  0.497547  1
  Ni  Ni46  1  0.349419  0.836600  0.539142  1
  Ni  Ni47  1  0.652393  0.169272  0.539142  1
  Ni  Ni48  1  0.350188  0.336848  0.580871  1
  Ni  Ni49  1  0.651623  0.669025  0.580871  1
  Ni  Ni50  1  0.348400  0.836214  0.622132  1
  Ni  Ni51  1  0.653412  0.169658  0.622132  1
  Ni  Ni52  1  0.352318  0.338976  0.664543  1
  Ni  Ni53  1  0.649493  0.666897  0.664543  1
  Ni  Ni54  1  0.351053  0.843858  0.704801  1
  Ni  Ni55  1  0.650759  0.162015  0.704801  1
