# generated using pymatgen
data_AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.07405005
_cell_length_b   10.26962649
_cell_length_c   45.88180402
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.09346927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi
_chemical_formula_sum   'Al66 Ni66'
_cell_volume   3499.54222259
_cell_formula_units_Z   66
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  0.274029  0.126872  0.309615  1
  Al  Al2  1  0.774029  0.126872  0.309615  1
  Al  Al3  1  0.713167  0.504904  0.292633  1
  Al  Al4  1  0.134365  0.847250  0.284429  1
  Al  Al5  1  0.213167  0.504904  0.292633  1
  Al  Al6  1  0.634365  0.847250  0.284429  1
  Al  Al7  1  0.979779  0.038665  0.352534  1
  Al  Al8  1  0.479779  0.038665  0.352534  1
  Al  Al9  1  0.408549  0.396121  0.341618  1
  Al  Al10  1  0.840881  0.760610  0.324229  1
  Al  Al11  1  0.908549  0.396121  0.341618  1
  Al  Al12  1  0.340881  0.760610  0.324229  1
  Al  Al13  1  0.681297  0.942065  0.392253  1
  Al  Al14  1  0.181297  0.942065  0.392253  1
  Al  Al15  1  0.114163  0.307636  0.378327  1
  Al  Al16  1  0.545565  0.670372  0.366384  1
  Al  Al17  1  0.614163  0.307636  0.378327  1
  Al  Al18  1  0.045565  0.670372  0.366384  1
  Al  Al19  1  0.386078  0.851959  0.431861  1
  Al  Al20  1  0.886078  0.851959  0.431861  1
  Al  Al21  1  0.817447  0.214595  0.418880  1
  Al  Al22  1  0.250655  0.580864  0.404941  1
  Al  Al23  1  0.317447  0.214595  0.418880  1
  Al  Al24  1  0.750655  0.580864  0.404941  1
  Al  Al25  1  0.090164  0.760499  0.472373  1
  Al  Al26  1  0.590164  0.760499  0.472373  1
  Al  Al27  1  0.522281  0.124603  0.458868  1
  Al  Al28  1  0.953948  0.487832  0.446029  1
  Al  Al29  1  0.022281  0.124603  0.458868  1
  Al  Al30  1  0.453948  0.487832  0.446029  1
  Al  Al31  1  0.794293  0.669112  0.512251  1
  Al  Al32  1  0.294293  0.669112  0.512251  1
  Al  Al33  1  0.226241  0.032885  0.498884  1
  Al  Al34  1  0.658189  0.396658  0.485516  1
  Al  Al35  1  0.726241  0.032885  0.498884  1
  Al  Al36  1  0.158189  0.396658  0.485516  1
  Al  Al37  1  0.498533  0.577938  0.551738  1
  Al  Al38  1  0.998533  0.577938  0.551738  1
  Al  Al39  1  0.930201  0.941167  0.538899  1
  Al  Al40  1  0.362318  0.305271  0.525394  1
  Al  Al41  1  0.430201  0.941167  0.538899  1
  Al  Al42  1  0.862318  0.305271  0.525394  1
  Al  Al43  1  0.201827  0.484906  0.592826  1
  Al  Al44  1  0.701827  0.484906  0.592826  1
  Al  Al45  1  0.635035  0.851174  0.578888  1
  Al  Al46  1  0.066404  0.213810  0.565906  1
  Al  Al47  1  0.135035  0.851174  0.578888  1
  Al  Al48  1  0.566404  0.213810  0.565906  1
  Al  Al49  1  0.906917  0.395398  0.631383  1
  Al  Al50  1  0.406917  0.395398  0.631383  1
  Al  Al51  1  0.338319  0.758133  0.619440  1
  Al  Al52  1  0.771185  0.123705  0.605514  1
  Al  Al53  1  0.838319  0.758133  0.619440  1
  Al  Al54  1  0.271185  0.123705  0.605514  1
  Al  Al55  1  0.611601  0.305160  0.673538  1
  Al  Al56  1  0.111601  0.305160  0.673538  1
  Al  Al57  1  0.043933  0.669648  0.656149  1
  Al  Al58  1  0.472703  0.027105  0.645233  1
  Al  Al59  1  0.543933  0.669648  0.656149  1
  Al  Al60  1  0.972703  0.027105  0.645233  1
  Al  Al61  1  0.318117  0.218519  0.713339  1
  Al  Al62  1  0.818117  0.218519  0.713339  1
  Al  Al63  1  0.739315  0.560866  0.705134  1
  Al  Al64  1  0.178453  0.938898  0.688152  1
  Al  Al65  1  0.239315  0.560866  0.705134  1
  Al  Al66  1  0.678453  0.938898  0.688152  1
  Ni  Ni67  1  0.956309  0.991229  0.301228  1
  Ni  Ni68  1  0.456309  0.991229  0.301228  1
  Ni  Ni69  1  0.391392  0.361097  0.290550  1
  Ni  Ni70  1  0.520558  0.619818  0.314247  1
  Ni  Ni71  1  0.891392  0.361097  0.290550  1
  Ni  Ni72  1  0.020558  0.619818  0.314247  1
  Ni  Ni73  1  0.660155  0.899281  0.338817  1
  Ni  Ni74  1  0.160155  0.899281  0.338817  1
  Ni  Ni75  1  0.095358  0.269551  0.323687  1
  Ni  Ni76  1  0.227792  0.534714  0.350552  1
  Ni  Ni77  1  0.595358  0.269551  0.323687  1
  Ni  Ni78  1  0.727792  0.534714  0.350552  1
  Ni  Ni79  1  0.364529  0.808414  0.377886  1
  Ni  Ni80  1  0.864529  0.808414  0.377886  1
  Ni  Ni81  1  0.794065  0.167370  0.365226  1
  Ni  Ni82  1  0.931825  0.443088  0.393532  1
  Ni  Ni83  1  0.294065  0.167370  0.365226  1
  Ni  Ni84  1  0.431825  0.443088  0.393532  1
  Ni  Ni85  1  0.067682  0.715045  0.419347  1
  Ni  Ni86  1  0.567682  0.715045  0.419347  1
  Ni  Ni87  1  0.500233  0.080048  0.405588  1
  Ni  Ni88  1  0.636403  0.352613  0.431936  1
  Ni  Ni89  1  1.000233  0.080048  0.405588  1
  Ni  Ni90  1  0.136403  0.352613  0.431936  1
  Ni  Ni91  1  0.772305  0.624662  0.458674  1
  Ni  Ni92  1  0.272305  0.624662  0.458674  1
  Ni  Ni93  1  0.203823  0.987568  0.445599  1
  Ni  Ni94  1  0.339920  0.260003  0.472188  1
  Ni  Ni95  1  0.703823  0.987568  0.445599  1
  Ni  Ni96  1  0.839920  0.260003  0.472188  1
  Ni  Ni97  1  0.476241  0.532885  0.498884  1
  Ni  Ni98  1  0.976241  0.532885  0.498884  1
  Ni  Ni99  1  0.908224  0.896736  0.485415  1
  Ni  Ni100  1  0.044258  0.169034  0.512352  1
  Ni  Ni101  1  0.408224  0.896736  0.485415  1
  Ni  Ni102  1  0.544258  0.169034  0.512352  1
  Ni  Ni103  1  0.180177  0.441108  0.539093  1
  Ni  Ni104  1  0.680177  0.441108  0.539093  1
  Ni  Ni105  1  0.612562  0.805767  0.525579  1
  Ni  Ni106  1  0.748659  0.078202  0.552168  1
  Ni  Ni107  1  0.112562  0.805767  0.525579  1
  Ni  Ni108  1  0.248659  0.078202  0.552168  1
  Ni  Ni109  1  0.884800  0.350725  0.578420  1
  Ni  Ni110  1  0.384800  0.350725  0.578420  1
  Ni  Ni111  1  0.316079  0.713157  0.565831  1
  Ni  Ni112  1  0.452249  0.985722  0.592179  1
  Ni  Ni113  1  0.816079  0.713157  0.565831  1
  Ni  Ni114  1  0.952249  0.985722  0.592179  1
  Ni  Ni115  1  0.587953  0.257356  0.619881  1
  Ni  Ni116  1  0.087953  0.257356  0.619881  1
  Ni  Ni117  1  0.020656  0.622682  0.604235  1
  Ni  Ni118  1  0.158417  0.898400  0.632541  1
  Ni  Ni119  1  0.520656  0.622682  0.604235  1
  Ni  Ni120  1  0.658417  0.898400  0.632541  1
  Ni  Ni121  1  0.292327  0.166489  0.658950  1
  Ni  Ni122  1  0.792327  0.166489  0.658950  1
  Ni  Ni123  1  0.724690  0.531056  0.647215  1
  Ni  Ni124  1  0.857124  0.796219  0.674080  1
  Ni  Ni125  1  0.224690  0.531056  0.647215  1
  Ni  Ni126  1  0.357124  0.796219  0.674080  1
  Ni  Ni127  1  0.996173  0.074541  0.696539  1
  Ni  Ni128  1  0.496173  0.074541  0.696539  1
  Ni  Ni129  1  0.431924  0.445952  0.683520  1
  Ni  Ni130  1  0.561090  0.704673  0.707217  1
  Ni  Ni131  1  0.931924  0.445952  0.683520  1
  Ni  Ni132  1  0.061090  0.704673  0.707217  1
