# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.83149934
_cell_length_b   7.82180586
_cell_length_c   48.01061867
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al28 Ni84'
_cell_volume   2546.94684811
_cell_formula_units_Z   28
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  0.131731  0.262732  0.303003  1
  Al  Al2  1  0.168823  0.836844  0.291230  1
  Al  Al3  1  0.668823  0.836844  0.291230  1
  Al  Al4  1  0.631731  0.262732  0.303003  1
  Al  Al5  1  0.415984  0.831175  0.370453  1
  Al  Al6  1  0.451676  0.402566  0.357587  1
  Al  Al7  1  0.951676  0.402566  0.357587  1
  Al  Al8  1  0.915984  0.831175  0.370453  1
  Al  Al9  1  0.699679  0.398532  0.438132  1
  Al  Al10  1  0.735280  0.969738  0.425844  1
  Al  Al11  1  0.235280  0.969738  0.425844  1
  Al  Al12  1  0.199679  0.398532  0.438132  1
  Al  Al13  1  0.983180  0.965494  0.506082  1
  Al  Al14  1  0.018734  0.536609  0.493683  1
  Al  Al15  1  0.518734  0.536609  0.493683  1
  Al  Al16  1  0.483180  0.965494  0.506082  1
  Al  Al17  1  0.266634  0.532366  0.573921  1
  Al  Al18  1  0.302234  0.103571  0.561633  1
  Al  Al19  1  0.802234  0.103571  0.561633  1
  Al  Al20  1  0.766634  0.532366  0.573921  1
  Al  Al21  1  0.550237  0.099537  0.642178  1
  Al  Al22  1  0.585929  0.670928  0.629312  1
  Al  Al23  1  0.085929  0.670928  0.629312  1
  Al  Al24  1  0.050237  0.099537  0.642178  1
  Al  Al25  1  0.833091  0.665260  0.708535  1
  Al  Al26  1  0.870182  0.239371  0.696762  1
  Al  Al27  1  0.370182  0.239371  0.696762  1
  Al  Al28  1  0.333091  0.665260  0.708535  1
  Ni  Ni29  1  0.349421  0.198239  0.272900  1
  Ni  Ni30  1  0.990084  0.979422  0.268657  1
  Ni  Ni31  1  0.488881  0.476964  0.306636  1
  Ni  Ni32  1  0.309471  0.618110  0.283034  1
  Ni  Ni33  1  0.308473  0.116177  0.324543  1
  Ni  Ni34  1  0.453189  0.905592  0.319686  1
  Ni  Ni35  1  0.809471  0.618110  0.283034  1
  Ni  Ni36  1  0.808473  0.116177  0.324543  1
  Ni  Ni37  1  0.953189  0.905592  0.319686  1
  Ni  Ni38  1  0.849421  0.198239  0.272900  1
  Ni  Ni39  1  0.490084  0.979422  0.268657  1
  Ni  Ni40  1  0.988881  0.476964  0.306636  1
  Ni  Ni41  1  0.629502  0.758219  0.341649  1
  Ni  Ni42  1  0.275765  0.550744  0.335663  1
  Ni  Ni43  1  0.771330  0.041851  0.375320  1
  Ni  Ni44  1  0.596313  0.191854  0.353245  1
  Ni  Ni45  1  0.592133  0.683463  0.392305  1
  Ni  Ni46  1  0.737875  0.474947  0.386874  1
  Ni  Ni47  1  0.096313  0.191854  0.353245  1
  Ni  Ni48  1  0.092133  0.683463  0.392305  1
  Ni  Ni49  1  0.237875  0.474947  0.386874  1
  Ni  Ni50  1  0.129502  0.758219  0.341649  1
  Ni  Ni51  1  0.775765  0.550744  0.335663  1
  Ni  Ni52  1  0.271330  0.041851  0.375320  1
  Ni  Ni53  1  0.913754  0.326700  0.408862  1
  Ni  Ni54  1  0.558965  0.117121  0.404094  1
  Ni  Ni55  1  0.054879  0.608915  0.443111  1
  Ni  Ni56  1  0.879826  0.758848  0.421003  1
  Ni  Ni57  1  0.876019  0.251199  0.459965  1
  Ni  Ni58  1  0.021269  0.041698  0.455039  1
  Ni  Ni59  1  0.379826  0.758848  0.421003  1
  Ni  Ni60  1  0.376019  0.251199  0.459965  1
  Ni  Ni61  1  0.521269  0.041698  0.455039  1
  Ni  Ni62  1  0.413754  0.326700  0.408862  1
  Ni  Ni63  1  0.058965  0.117121  0.404094  1
  Ni  Ni64  1  0.554879  0.608915  0.443111  1
  Ni  Ni65  1  0.197137  0.893427  0.476894  1
  Ni  Ni66  1  0.842398  0.683950  0.471889  1
  Ni  Ni67  1  0.338493  0.176106  0.510940  1
  Ni  Ni68  1  0.163420  0.325998  0.488825  1
  Ni  Ni69  1  0.159515  0.818153  0.527876  1
  Ni  Ni70  1  0.304776  0.608676  0.522871  1
  Ni  Ni71  1  0.663420  0.325998  0.488825  1
  Ni  Ni72  1  0.659515  0.818153  0.527876  1
  Ni  Ni73  1  0.804776  0.608676  0.522871  1
  Ni  Ni74  1  0.697137  0.893427  0.476894  1
  Ni  Ni75  1  0.342398  0.683950  0.471889  1
  Ni  Ni76  1  0.838493  0.176106  0.510940  1
  Ni  Ni77  1  0.480644  0.460405  0.544726  1
  Ni  Ni78  1  0.125894  0.250904  0.539800  1
  Ni  Ni79  1  0.622087  0.743255  0.578762  1
  Ni  Ni80  1  0.447035  0.893188  0.556654  1
  Ni  Ni81  1  0.442948  0.384983  0.595671  1
  Ni  Ni82  1  0.588159  0.175404  0.590903  1
  Ni  Ni83  1  0.947035  0.893188  0.556654  1
  Ni  Ni84  1  0.942948  0.384983  0.595671  1
  Ni  Ni85  1  0.088159  0.175404  0.590903  1
  Ni  Ni86  1  0.980644  0.460405  0.544726  1
  Ni  Ni87  1  0.625894  0.250904  0.539800  1
  Ni  Ni88  1  0.122087  0.743255  0.578762  1
  Ni  Ni89  1  0.764038  0.027156  0.612891  1
  Ni  Ni90  1  0.409780  0.818640  0.607459  1
  Ni  Ni91  1  0.905600  0.310249  0.646520  1
  Ni  Ni92  1  0.730583  0.460252  0.624445  1
  Ni  Ni93  1  0.726148  0.951359  0.664102  1
  Ni  Ni94  1  0.872412  0.743884  0.658116  1
  Ni  Ni95  1  0.230583  0.460252  0.624445  1
  Ni  Ni96  1  0.226148  0.951359  0.664102  1
  Ni  Ni97  1  0.372412  0.743884  0.658116  1
  Ni  Ni98  1  0.264038  0.027156  0.612891  1
  Ni  Ni99  1  0.909780  0.818640  0.607459  1
  Ni  Ni100  1  0.405600  0.310249  0.646520  1
  Ni  Ni101  1  0.048724  0.596511  0.680079  1
  Ni  Ni102  1  0.693440  0.385927  0.675222  1
  Ni  Ni103  1  0.192443  0.883993  0.716731  1
  Ni  Ni104  1  0.013033  0.025139  0.693129  1
  Ni  Ni105  1  0.011829  0.522681  0.731108  1
  Ni  Ni106  1  0.152493  0.303865  0.726865  1
  Ni  Ni107  1  0.513033  0.025139  0.693129  1
  Ni  Ni108  1  0.511829  0.522681  0.731108  1
  Ni  Ni109  1  0.652493  0.303865  0.726865  1
  Ni  Ni110  1  0.548724  0.596511  0.680079  1
  Ni  Ni111  1  0.193440  0.385927  0.675222  1
  Ni  Ni112  1  0.692443  0.883993  0.716731  1
