# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.90526177
_cell_length_b   6.34396329
_cell_length_c   49.83754712
_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   'Al42 Ni28'
_cell_volume   2183.2198312
_cell_formula_units_Z   14
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  0.012690  0.225321  0.286543  1
  Al  Al2  1  0.494232  0.974083  0.312870  1
  Al  Al3  1  0.355341  0.385021  0.307872  1
  Al  Al4  1  0.835768  0.199739  0.339096  1
  Al  Al5  1  0.142919  0.759680  0.295734  1
  Al  Al6  1  0.692517  0.591742  0.323196  1
  Al  Al7  1  1.002937  0.796706  0.347831  1
  Al  Al8  1  0.504818  0.591869  0.376736  1
  Al  Al9  1  0.338055  0.999521  0.367124  1
  Al  Al10  1  0.834136  0.801541  0.399104  1
  Al  Al11  1  0.168763  0.388161  0.356424  1
  Al  Al12  1  0.667421  0.187393  0.388304  1
  Al  Al13  1  1.002523  0.395848  0.409126  1
  Al  Al14  1  0.502884  0.197699  0.440594  1
  Al  Al15  1  0.336392  0.601811  0.430429  1
  Al  Al16  1  0.835442  0.402811  0.461863  1
  Al  Al17  1  0.171278  0.991411  0.418716  1
  Al  Al18  1  0.670588  0.791810  0.450453  1
  Al  Al19  1  1.003530  0.997242  0.471859  1
  Al  Al20  1  0.503381  0.797903  0.503258  1
  Al  Al21  1  0.335719  0.202823  0.493338  1
  Al  Al22  1  0.835716  0.003848  0.524739  1
  Al  Al23  1  0.170962  0.592080  0.481758  1
  Al  Al24  1  0.671057  0.393065  0.513180  1
  Al  Al25  1  1.003152  0.598820  0.534686  1
  Al  Al26  1  0.503778  0.397853  0.565877  1
  Al  Al27  1  0.336250  0.803982  0.556060  1
  Al  Al28  1  0.834616  0.604327  0.587884  1
  Al  Al29  1  0.171097  0.192991  0.544651  1
  Al  Al30  1  0.670461  0.994341  0.576028  1
  Al  Al31  1  0.004195  0.200749  0.597473  1
  Al  Al32  1  0.501921  0.001952  0.629539  1
  Al  Al33  1  0.341057  0.408569  0.618168  1
  Al  Al34  1  0.835111  0.206998  0.650102  1
  Al  Al35  1  0.171978  0.793731  0.607355  1
  Al  Al36  1  0.670351  0.596406  0.639824  1
  Al  Al37  1  1.003057  0.800277  0.658518  1
  Al  Al38  1  0.513159  0.618734  0.692969  1
  Al  Al39  1  0.322625  0.006033  0.682601  1
  Al  Al40  1  0.861866  0.834106  0.710331  1
  Al  Al41  1  0.168227  0.395845  0.666855  1
  Al  Al42  1  0.658550  0.215136  0.699817  1
  Ni  Ni43  1  0.336180  0.699376  0.336825  1
  Ni  Ni44  1  0.840728  0.928646  0.307236  1
  Ni  Ni45  1  0.164101  0.073512  0.324798  1
  Ni  Ni46  1  0.680400  0.262646  0.296841  1
  Ni  Ni47  1  0.336919  0.307159  0.399603  1
  Ni  Ni48  1  0.836925  0.506491  0.368726  1
  Ni  Ni49  1  0.172785  0.683120  0.387261  1
  Ni  Ni50  1  0.665195  0.883022  0.354212  1
  Ni  Ni51  1  0.337199  0.908008  0.462501  1
  Ni  Ni52  1  0.837595  0.106758  0.431310  1
  Ni  Ni53  1  0.168824  0.285826  0.449720  1
  Ni  Ni54  1  0.668088  0.486578  0.418166  1
  Ni  Ni55  1  0.337125  0.509030  0.525316  1
  Ni  Ni56  1  0.837632  0.708770  0.493971  1
  Ni  Ni57  1  0.169142  0.887053  0.512548  1
  Ni  Ni58  1  0.669459  0.086830  0.481184  1
  Ni  Ni59  1  0.338191  0.109155  0.588316  1
  Ni  Ni60  1  0.838043  0.310231  0.556817  1
  Ni  Ni61  1  0.169098  0.489024  0.575207  1
  Ni  Ni62  1  0.669533  0.687824  0.544026  1
  Ni  Ni63  1  0.340468  0.711900  0.652115  1
  Ni  Ni64  1  0.833822  0.912936  0.619158  1
  Ni  Ni65  1  0.169852  0.088879  0.637661  1
  Ni  Ni66  1  0.669834  0.288617  0.606937  1
  Ni  Ni67  1  0.315286  0.335639  0.708957  1
  Ni  Ni68  1  0.850215  0.518686  0.682740  1
  Ni  Ni69  1  0.167738  0.670506  0.698294  1
  Ni  Ni70  1  0.669999  0.899451  0.669830  1
