# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06928560
_cell_length_b   12.86381744
_cell_length_c   49.19447154
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al32 Ni96'
_cell_volume   3207.98941978
_cell_formula_units_Z   32
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  0.558969  0.719513  0.270140  1
  Al  Al2  1  0.558969  0.118338  0.338002  1
  Al  Al3  1  0.058969  0.907790  0.293711  1
  Al  Al4  1  0.058969  0.541006  0.251243  1
  Al  Al5  1  0.058969  0.618338  0.338002  1
  Al  Al6  1  0.058969  0.219513  0.270140  1
  Al  Al7  1  0.558969  0.041006  0.251243  1
  Al  Al8  1  0.558969  0.407790  0.293711  1
  Al  Al9  1  0.558969  0.489459  0.376848  1
  Al  Al10  1  0.558969  0.884454  0.442338  1
  Al  Al11  1  0.058969  0.698675  0.423109  1
  Al  Al12  1  0.058969  0.302732  0.357138  1
  Al  Al13  1  0.058969  0.384454  0.442338  1
  Al  Al14  1  0.058969  0.989459  0.376848  1
  Al  Al15  1  0.558969  0.802732  0.357138  1
  Al  Al16  1  0.558969  0.198675  0.423109  1
  Al  Al17  1  0.558969  0.279833  0.508137  1
  Al  Al18  1  0.558969  0.651486  0.546655  1
  Al  Al19  1  0.058969  0.465776  0.527478  1
  Al  Al20  1  0.058969  0.070478  0.461682  1
  Al  Al21  1  0.058969  0.151486  0.546655  1
  Al  Al22  1  0.058969  0.779833  0.508137  1
  Al  Al23  1  0.558969  0.570478  0.461682  1
  Al  Al24  1  0.558969  0.965776  0.527478  1
  Al  Al25  1  0.558969  0.046539  0.612950  1
  Al  Al26  1  0.558969  0.443887  0.679490  1
  Al  Al27  1  0.058969  0.233098  0.631300  1
  Al  Al28  1  0.058969  0.861016  0.592959  1
  Al  Al29  1  0.058969  0.943887  0.679490  1
  Al  Al30  1  0.058969  0.546539  0.612950  1
  Al  Al31  1  0.558969  0.361016  0.592959  1
  Al  Al32  1  0.558969  0.733098  0.631300  1
  Ni  Ni33  1  0.811924  0.577322  0.295653  1
  Ni  Ni34  1  0.807905  0.948450  0.334634  1
  Ni  Ni35  1  0.058969  0.724152  0.272204  1
  Ni  Ni36  1  0.058969  0.119067  0.337821  1
  Ni  Ni37  1  0.306014  0.577322  0.295653  1
  Ni  Ni38  1  0.310033  0.948450  0.334634  1
  Ni  Ni39  1  0.312569  0.761871  0.314103  1
  Ni  Ni40  1  0.311451  0.370728  0.251771  1
  Ni  Ni41  1  0.558969  0.908918  0.292533  1
  Ni  Ni42  1  0.558969  0.532295  0.255401  1
  Ni  Ni43  1  0.805369  0.761871  0.314103  1
  Ni  Ni44  1  0.806487  0.370728  0.251771  1
  Ni  Ni45  1  0.307905  0.448450  0.334634  1
  Ni  Ni46  1  0.311924  0.077322  0.295653  1
  Ni  Ni47  1  0.558969  0.619067  0.337821  1
  Ni  Ni48  1  0.558969  0.224152  0.272204  1
  Ni  Ni49  1  0.810033  0.448450  0.334634  1
  Ni  Ni50  1  0.806014  0.077322  0.295653  1
  Ni  Ni51  1  0.811451  0.870728  0.251771  1
  Ni  Ni52  1  0.812569  0.261871  0.314103  1
  Ni  Ni53  1  0.058969  0.032295  0.255401  1
  Ni  Ni54  1  0.058969  0.408918  0.292533  1
  Ni  Ni55  1  0.306487  0.870728  0.251771  1
  Ni  Ni56  1  0.305369  0.261871  0.314103  1
  Ni  Ni57  1  0.808981  0.343762  0.399724  1
  Ni  Ni58  1  0.809747  0.740169  0.465737  1
  Ni  Ni59  1  0.058969  0.487700  0.377035  1
  Ni  Ni60  1  0.058969  0.884478  0.442339  1
  Ni  Ni61  1  0.308957  0.343762  0.399724  1
  Ni  Ni62  1  0.308191  0.740169  0.465737  1
  Ni  Ni63  1  0.309744  0.529016  0.419131  1
  Ni  Ni64  1  0.309804  0.159013  0.380684  1
  Ni  Ni65  1  0.558969  0.700607  0.422958  1
  Ni  Ni66  1  0.558969  0.303188  0.356911  1
  Ni  Ni67  1  0.808194  0.529016  0.419131  1
  Ni  Ni68  1  0.808134  0.159013  0.380684  1
  Ni  Ni69  1  0.309747  0.240169  0.465737  1
  Ni  Ni70  1  0.308981  0.843762  0.399724  1
  Ni  Ni71  1  0.558969  0.384478  0.442339  1
  Ni  Ni72  1  0.558969  0.987700  0.377035  1
  Ni  Ni73  1  0.808191  0.240169  0.465737  1
  Ni  Ni74  1  0.808957  0.843762  0.399724  1
  Ni  Ni75  1  0.809804  0.659013  0.380684  1
  Ni  Ni76  1  0.809744  0.029016  0.419131  1
  Ni  Ni77  1  0.058969  0.803188  0.356911  1
  Ni  Ni78  1  0.058969  0.200607  0.422958  1
  Ni  Ni79  1  0.308134  0.659013  0.380684  1
  Ni  Ni80  1  0.308194  0.029016  0.419131  1
  Ni  Ni81  1  0.809743  0.110064  0.504053  1
  Ni  Ni82  1  0.809386  0.506517  0.570121  1
  Ni  Ni83  1  0.058969  0.281734  0.507988  1
  Ni  Ni84  1  0.058969  0.649636  0.546776  1
  Ni  Ni85  1  0.308195  0.110064  0.504053  1
  Ni  Ni86  1  0.308552  0.506517  0.570121  1
  Ni  Ni87  1  0.309486  0.321282  0.550733  1
  Ni  Ni88  1  0.309095  0.925133  0.484909  1
  Ni  Ni89  1  0.558969  0.465750  0.527505  1
  Ni  Ni90  1  0.558969  0.068521  0.461825  1
  Ni  Ni91  1  0.808452  0.321282  0.550733  1
  Ni  Ni92  1  0.808843  0.925133  0.484909  1
  Ni  Ni93  1  0.309386  0.006517  0.570121  1
  Ni  Ni94  1  0.309743  0.610064  0.504053  1
  Ni  Ni95  1  0.558969  0.149636  0.546776  1
  Ni  Ni96  1  0.558969  0.781734  0.507988  1
  Ni  Ni97  1  0.808552  0.006517  0.570121  1
  Ni  Ni98  1  0.808195  0.610064  0.504053  1
  Ni  Ni99  1  0.809095  0.425133  0.484909  1
  Ni  Ni100  1  0.809486  0.821282  0.550733  1
  Ni  Ni101  1  0.058969  0.568521  0.461825  1
  Ni  Ni102  1  0.058969  0.965750  0.527505  1
  Ni  Ni103  1  0.308843  0.425133  0.484909  1
  Ni  Ni104  1  0.308452  0.821282  0.550733  1
  Ni  Ni105  1  0.813955  0.902471  0.635391  1
  Ni  Ni106  1  0.808766  0.272929  0.672688  1
  Ni  Ni107  1  0.058969  0.047669  0.612765  1
  Ni  Ni108  1  0.058969  0.442252  0.674743  1
  Ni  Ni109  1  0.303982  0.902471  0.635391  1
  Ni  Ni110  1  0.309172  0.272929  0.672688  1
  Ni  Ni111  1  0.309676  0.090223  0.655827  1
  Ni  Ni112  1  0.309447  0.690891  0.589000  1
  Ni  Ni113  1  0.558969  0.230483  0.631326  1
  Ni  Ni114  1  0.558969  0.862938  0.593025  1
  Ni  Ni115  1  0.808262  0.090223  0.655827  1
  Ni  Ni116  1  0.808491  0.690891  0.589000  1
  Ni  Ni117  1  0.308766  0.772929  0.672688  1
  Ni  Ni118  1  0.313955  0.402471  0.635391  1
  Ni  Ni119  1  0.558969  0.942252  0.674743  1
  Ni  Ni120  1  0.558969  0.547669  0.612765  1
  Ni  Ni121  1  0.809172  0.772929  0.672688  1
  Ni  Ni122  1  0.803982  0.402471  0.635391  1
  Ni  Ni123  1  0.809447  0.190891  0.589000  1
  Ni  Ni124  1  0.809676  0.590223  0.655827  1
  Ni  Ni125  1  0.058969  0.362938  0.593025  1
  Ni  Ni126  1  0.058969  0.730483  0.631326  1
  Ni  Ni127  1  0.308491  0.190891  0.589000  1
  Ni  Ni128  1  0.308262  0.590223  0.655827  1
