# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.87630819
_cell_length_b   7.87758807
_cell_length_c   48.76248762
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al28 Ni84'
_cell_volume   2620.18799762
_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  1.001101  0.382670  0.280004  1
  Al  Al2  1  0.475519  0.933900  0.271751  1
  Al  Al3  1  0.975519  0.933900  0.271751  1
  Al  Al4  1  0.501101  0.382670  0.280004  1
  Al  Al5  1  0.707989  0.968865  0.346142  1
  Al  Al6  1  0.175468  0.533908  0.334100  1
  Al  Al7  1  0.675468  0.533908  0.334100  1
  Al  Al8  1  0.207989  0.968865  0.346142  1
  Al  Al9  1  0.418534  0.547756  0.412542  1
  Al  Al10  1  0.884563  0.115704  0.400901  1
  Al  Al11  1  0.384563  0.115704  0.400901  1
  Al  Al12  1  0.918534  0.547756  0.412542  1
  Al  Al13  1  0.129460  0.125897  0.479795  1
  Al  Al14  1  0.595756  0.693309  0.468552  1
  Al  Al15  1  0.095756  0.693309  0.468552  1
  Al  Al16  1  0.629460  0.125897  0.479795  1
  Al  Al17  1  0.840439  0.703930  0.547310  1
  Al  Al18  1  0.306858  0.271099  0.536347  1
  Al  Al19  1  0.806858  0.271099  0.536347  1
  Al  Al20  1  0.340439  0.703930  0.547310  1
  Al  Al21  1  0.550994  0.282812  0.616437  1
  Al  Al22  1  0.016846  0.851106  0.602145  1
  Al  Al23  1  0.516846  0.851106  0.602145  1
  Al  Al24  1  0.050994  0.282812  0.616437  1
  Al  Al25  1  0.248278  0.888181  0.676551  1
  Al  Al26  1  0.724675  0.435416  0.669488  1
  Al  Al27  1  0.224675  0.435416  0.669488  1
  Al  Al28  1  0.748278  0.888181  0.676551  1
  Ni  Ni29  1  0.146875  0.591099  0.286111  1
  Ni  Ni30  1  0.845669  0.693506  0.308461  1
  Ni  Ni31  1  0.031247  0.322365  0.328601  1
  Ni  Ni32  1  0.672827  0.039251  0.297718  1
  Ni  Ni33  1  0.326812  0.231258  0.302356  1
  Ni  Ni34  1  0.501099  0.882658  0.319101  1
  Ni  Ni35  1  0.172827  0.039251  0.297718  1
  Ni  Ni36  1  0.826812  0.231258  0.302356  1
  Ni  Ni37  1  1.001099  0.882658  0.319101  1
  Ni  Ni38  1  0.646875  0.591099  0.286111  1
  Ni  Ni39  1  0.345669  0.693506  0.308461  1
  Ni  Ni40  1  0.531247  0.322365  0.328601  1
  Ni  Ni41  1  0.850803  0.183227  0.350484  1
  Ni  Ni42  1  0.557666  0.269496  0.377501  1
  Ni  Ni43  1  0.741810  0.901217  0.396578  1
  Ni  Ni44  1  0.383298  0.618240  0.361635  1
  Ni  Ni45  1  0.035835  0.813171  0.369687  1
  Ni  Ni46  1  0.208852  0.467122  0.384090  1
  Ni  Ni47  1  0.883298  0.618240  0.361635  1
  Ni  Ni48  1  0.535835  0.813171  0.369687  1
  Ni  Ni49  1  0.708852  0.467122  0.384090  1
  Ni  Ni50  1  0.350803  0.183227  0.350484  1
  Ni  Ni51  1  0.057666  0.269496  0.377501  1
  Ni  Ni52  1  0.241810  0.901217  0.396578  1
  Ni  Ni53  1  0.561477  0.761865  0.418319  1
  Ni  Ni54  1  0.269025  0.846768  0.445210  1
  Ni  Ni55  1  0.452678  0.479471  0.463490  1
  Ni  Ni56  1  0.094508  0.195811  0.429619  1
  Ni  Ni57  1  0.745549  0.393729  0.436339  1
  Ni  Ni58  1  0.919642  0.045536  0.451214  1
  Ni  Ni59  1  0.594508  0.195811  0.429619  1
  Ni  Ni60  1  0.245549  0.393729  0.436339  1
  Ni  Ni61  1  0.419642  0.045536  0.451214  1
  Ni  Ni62  1  0.061477  0.761865  0.418319  1
  Ni  Ni63  1  0.769025  0.846768  0.445210  1
  Ni  Ni64  1  0.952678  0.479471  0.463490  1
  Ni  Ni65  1  0.272601  0.339610  0.485325  1
  Ni  Ni66  1  0.980366  0.424079  0.512479  1
  Ni  Ni67  1  0.163640  0.057538  0.529907  1
  Ni  Ni68  1  0.805815  0.773188  0.497091  1
  Ni  Ni69  1  0.456177  0.972466  0.503210  1
  Ni  Ni70  1  0.630907  0.622996  0.518701  1
  Ni  Ni71  1  0.305815  0.773188  0.497091  1
  Ni  Ni72  1  0.956177  0.972466  0.503210  1
  Ni  Ni73  1  0.130907  0.622996  0.518701  1
  Ni  Ni74  1  0.772601  0.339610  0.485325  1
  Ni  Ni75  1  0.480366  0.424079  0.512479  1
  Ni  Ni76  1  0.663640  0.057538  0.529907  1
  Ni  Ni77  1  0.983432  0.917936  0.551825  1
  Ni  Ni78  1  0.688043  0.008711  0.578453  1
  Ni  Ni79  1  0.875209  0.634386  0.597761  1
  Ni  Ni80  1  0.516134  0.352545  0.565305  1
  Ni  Ni81  1  0.166660  0.551490  0.570565  1
  Ni  Ni82  1  0.340484  0.203836  0.587375  1
  Ni  Ni83  1  0.016134  0.352545  0.565305  1
  Ni  Ni84  1  0.666660  0.551490  0.570565  1
  Ni  Ni85  1  0.840484  0.203836  0.587375  1
  Ni  Ni86  1  0.483432  0.917936  0.551825  1
  Ni  Ni87  1  0.188043  0.008711  0.578453  1
  Ni  Ni88  1  0.375209  0.634386  0.597761  1
  Ni  Ni89  1  0.693378  0.498033  0.619269  1
  Ni  Ni90  1  0.398917  0.586935  0.647029  1
  Ni  Ni91  1  0.575520  0.233744  0.666927  1
  Ni  Ni92  1  0.225635  0.933517  0.628569  1
  Ni  Ni93  1  0.882635  0.119527  0.642397  1
  Ni  Ni94  1  0.053782  0.777192  0.652064  1
  Ni  Ni95  1  0.725635  0.933517  0.628569  1
  Ni  Ni96  1  0.382635  0.119527  0.642397  1
  Ni  Ni97  1  0.553782  0.777192  0.652064  1
  Ni  Ni98  1  0.193378  0.498033  0.619269  1
  Ni  Ni99  1  0.898917  0.586935  0.647029  1
  Ni  Ni100  1  0.075520  0.233744  0.666927  1
  Ni  Ni101  1  0.402299  0.080141  0.692606  1
  Ni  Ni102  1  0.093076  0.198576  0.712803  1
  Ni  Ni103  1  0.263970  0.856756  0.723112  1
  Ni  Ni104  1  0.923326  0.538079  0.698153  1
  Ni  Ni105  1  0.576603  0.731515  0.701140  1
  Ni  Ni106  1  0.748868  0.386978  0.716663  1
  Ni  Ni107  1  0.423326  0.538079  0.698153  1
  Ni  Ni108  1  0.076603  0.731515  0.701140  1
  Ni  Ni109  1  0.248868  0.386978  0.716663  1
  Ni  Ni110  1  0.902299  0.080141  0.692606  1
  Ni  Ni111  1  0.593076  0.198576  0.712803  1
  Ni  Ni112  1  0.763970  0.856756  0.723112  1
