# generated using pymatgen
data_AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.03527783
_cell_length_b   10.23938200
_cell_length_c   45.67357361
_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   3456.72079854
_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  0.274730  0.126339  0.312436  1
  Al  Al2  1  0.774730  0.126339  0.312436  1
  Al  Al3  1  0.709844  0.496471  0.298704  1
  Al  Al4  1  0.133775  0.844380  0.287232  1
  Al  Al5  1  0.209844  0.496471  0.298704  1
  Al  Al6  1  0.633775  0.844380  0.287232  1
  Al  Al7  1  0.980134  0.037160  0.353528  1
  Al  Al8  1  0.480134  0.037160  0.353528  1
  Al  Al9  1  0.410192  0.397281  0.342127  1
  Al  Al10  1  0.841753  0.760353  0.327428  1
  Al  Al11  1  0.910192  0.397281  0.342127  1
  Al  Al12  1  0.341753  0.760353  0.327428  1
  Al  Al13  1  0.683293  0.943521  0.393024  1
  Al  Al14  1  0.183293  0.943521  0.393024  1
  Al  Al15  1  0.114836  0.306589  0.379725  1
  Al  Al16  1  0.547434  0.671773  0.367018  1
  Al  Al17  1  0.614836  0.306589  0.379725  1
  Al  Al18  1  0.047434  0.671773  0.367018  1
  Al  Al19  1  0.387669  0.852325  0.433437  1
  Al  Al20  1  0.887669  0.852325  0.433437  1
  Al  Al21  1  0.819303  0.215575  0.419820  1
  Al  Al22  1  0.251610  0.580168  0.406385  1
  Al  Al23  1  0.319303  0.215575  0.419820  1
  Al  Al24  1  0.751610  0.580168  0.406385  1
  Al  Al25  1  0.092145  0.761332  0.473750  1
  Al  Al26  1  0.592145  0.761332  0.473750  1
  Al  Al27  1  0.523958  0.124940  0.460212  1
  Al  Al28  1  0.955851  0.488709  0.447042  1
  Al  Al29  1  0.023958  0.124940  0.460212  1
  Al  Al30  1  0.455851  0.488709  0.447042  1
  Al  Al31  1  0.796421  0.669937  0.513796  1
  Al  Al32  1  0.296421  0.669937  0.513796  1
  Al  Al33  1  0.228266  0.033610  0.500403  1
  Al  Al34  1  0.660111  0.397282  0.487009  1
  Al  Al35  1  0.728266  0.033610  0.500403  1
  Al  Al36  1  0.160111  0.397282  0.487009  1
  Al  Al37  1  0.500681  0.578510  0.553763  1
  Al  Al38  1  1.000681  0.578510  0.553763  1
  Al  Al39  1  0.932574  0.942280  0.540594  1
  Al  Al40  1  0.364387  0.305887  0.527056  1
  Al  Al41  1  0.432574  0.942280  0.540594  1
  Al  Al42  1  0.864387  0.305887  0.527056  1
  Al  Al43  1  0.204922  0.487052  0.594420  1
  Al  Al44  1  0.704922  0.487052  0.594420  1
  Al  Al45  1  0.637229  0.851645  0.580986  1
  Al  Al46  1  0.068863  0.214894  0.567369  1
  Al  Al47  1  0.137229  0.851645  0.580986  1
  Al  Al48  1  0.568863  0.214894  0.567369  1
  Al  Al49  1  0.909098  0.395446  0.633788  1
  Al  Al50  1  0.409098  0.395446  0.633788  1
  Al  Al51  1  0.341696  0.760630  0.621080  1
  Al  Al52  1  0.773239  0.123698  0.607782  1
  Al  Al53  1  0.841696  0.760630  0.621080  1
  Al  Al54  1  0.273239  0.123698  0.607782  1
  Al  Al55  1  0.614779  0.306866  0.673378  1
  Al  Al56  1  0.114779  0.306866  0.673378  1
  Al  Al57  1  0.046340  0.669938  0.658678  1
  Al  Al58  1  0.476398  0.030059  0.647277  1
  Al  Al59  1  0.546340  0.669938  0.658678  1
  Al  Al60  1  0.976398  0.030059  0.647277  1
  Al  Al61  1  0.322757  0.222839  0.713574  1
  Al  Al62  1  0.822757  0.222839  0.713574  1
  Al  Al63  1  0.746688  0.570749  0.702102  1
  Al  Al64  1  0.181802  0.940880  0.688369  1
  Al  Al65  1  0.246688  0.570749  0.702102  1
  Al  Al66  1  0.681802  0.940880  0.688369  1
  Ni  Ni67  1  0.954614  0.986072  0.302722  1
  Ni  Ni68  1  0.454614  0.986072  0.302722  1
  Ni  Ni69  1  0.392365  0.361457  0.291972  1
  Ni  Ni70  1  0.520790  0.618384  0.315175  1
  Ni  Ni71  1  0.892365  0.361457  0.291972  1
  Ni  Ni72  1  0.020790  0.618384  0.315175  1
  Ni  Ni73  1  0.661443  0.899752  0.338953  1
  Ni  Ni74  1  0.161443  0.899752  0.338953  1
  Ni  Ni75  1  0.095029  0.266944  0.324241  1
  Ni  Ni76  1  0.228193  0.533296  0.352123  1
  Ni  Ni77  1  0.595029  0.266944  0.324241  1
  Ni  Ni78  1  0.728193  0.533296  0.352123  1
  Ni  Ni79  1  0.366100  0.809119  0.379874  1
  Ni  Ni80  1  0.866100  0.809119  0.379874  1
  Ni  Ni81  1  0.795948  0.168801  0.365926  1
  Ni  Ni82  1  0.933611  0.444150  0.394226  1
  Ni  Ni83  1  0.295948  0.168801  0.365926  1
  Ni  Ni84  1  0.433611  0.444150  0.394226  1
  Ni  Ni85  1  0.069663  0.716292  0.420354  1
  Ni  Ni86  1  0.569663  0.716292  0.420354  1
  Ni  Ni87  1  0.501227  0.079403  0.406846  1
  Ni  Ni88  1  0.637774  0.352534  0.433298  1
  Ni  Ni89  1  1.001227  0.079403  0.406846  1
  Ni  Ni90  1  0.137774  0.352534  0.433298  1
  Ni  Ni91  1  0.773997  0.625020  0.460139  1
  Ni  Ni92  1  0.273997  0.625020  0.460139  1
  Ni  Ni93  1  0.205715  0.988436  0.446728  1
  Ni  Ni94  1  0.341896  0.260835  0.473449  1
  Ni  Ni95  1  0.705715  0.988436  0.446728  1
  Ni  Ni96  1  0.841896  0.260835  0.473449  1
  Ni  Ni97  1  0.478266  0.533610  0.500403  1
  Ni  Ni98  1  0.978266  0.533610  0.500403  1
  Ni  Ni99  1  0.910258  0.897577  0.487005  1
  Ni  Ni100  1  0.046274  0.169643  0.513801  1
  Ni  Ni101  1  0.410258  0.897577  0.487005  1
  Ni  Ni102  1  0.546274  0.169643  0.513801  1
  Ni  Ni103  1  0.182535  0.442199  0.540666  1
  Ni  Ni104  1  0.682535  0.442199  0.540666  1
  Ni  Ni105  1  0.614636  0.806384  0.527356  1
  Ni  Ni106  1  0.750817  0.078783  0.554078  1
  Ni  Ni107  1  0.114636  0.806384  0.527356  1
  Ni  Ni108  1  0.250817  0.078783  0.554078  1
  Ni  Ni109  1  0.886869  0.350927  0.580451  1
  Ni  Ni110  1  0.386869  0.350927  0.580451  1
  Ni  Ni111  1  0.318758  0.714685  0.567507  1
  Ni  Ni112  1  0.455305  0.987816  0.593960  1
  Ni  Ni113  1  0.818758  0.714685  0.567507  1
  Ni  Ni114  1  0.955305  0.987816  0.593960  1
  Ni  Ni115  1  0.590432  0.258100  0.620932  1
  Ni  Ni116  1  0.090432  0.258100  0.620932  1
  Ni  Ni117  1  0.022921  0.623069  0.606580  1
  Ni  Ni118  1  0.160584  0.898419  0.634879  1
  Ni  Ni119  1  0.522921  0.623069  0.606580  1
  Ni  Ni120  1  0.660584  0.898419  0.634879  1
  Ni  Ni121  1  0.295089  0.167467  0.661852  1
  Ni  Ni122  1  0.795089  0.167467  0.661852  1
  Ni  Ni123  1  0.728339  0.533923  0.648682  1
  Ni  Ni124  1  0.861503  0.800275  0.676564  1
  Ni  Ni125  1  0.228339  0.533923  0.648682  1
  Ni  Ni126  1  0.361503  0.800275  0.676564  1
  Ni  Ni127  1  1.001918  0.081147  0.698083  1
  Ni  Ni128  1  0.501918  0.081147  0.698083  1
  Ni  Ni129  1  0.435742  0.448835  0.685631  1
  Ni  Ni130  1  0.564167  0.705762  0.708833  1
  Ni  Ni131  1  0.935742  0.448835  0.685631  1
  Ni  Ni132  1  0.064167  0.705762  0.708833  1
