# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.84059018
_cell_length_b   9.85485394
_cell_length_c   49.20714348
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   65.92750753
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al60 Ni100'
_cell_volume   4356.97022556
_cell_formula_units_Z   20
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  0.282095  0.762705  0.349400  1
  Al  Al2  1  0.419391  0.417348  0.298801  1
  Al  Al3  1  0.717570  0.157615  0.306290  1
  Al  Al4  1  0.555950  0.523095  0.349934  1
  Al  Al5  1  0.021166  0.044300  0.340871  1
  Al  Al6  1  0.880419  0.405687  0.382438  1
  Al  Al7  1  0.782095  0.762705  0.349400  1
  Al  Al8  1  0.919391  0.417348  0.298801  1
  Al  Al9  1  0.217570  0.157615  0.306290  1
  Al  Al10  1  0.055950  0.523095  0.349934  1
  Al  Al11  1  0.521166  0.044300  0.340871  1
  Al  Al12  1  0.380419  0.405687  0.382438  1
  Al  Al13  1  0.994656  0.490795  0.433096  1
  Al  Al14  1  0.166998  0.161027  0.379776  1
  Al  Al15  1  0.424497  0.887044  0.387553  1
  Al  Al16  1  0.281916  0.246290  0.430665  1
  Al  Al17  1  0.736206  0.766712  0.426200  1
  Al  Al18  1  0.598596  0.130263  0.466601  1
  Al  Al19  1  0.494656  0.490795  0.433096  1
  Al  Al20  1  0.666998  0.161027  0.379776  1
  Al  Al21  1  0.924497  0.887044  0.387553  1
  Al  Al22  1  0.781916  0.246290  0.430665  1
  Al  Al23  1  0.236206  0.766712  0.426200  1
  Al  Al24  1  0.098596  0.130263  0.466601  1
  Al  Al25  1  0.712497  0.215097  0.516989  1
  Al  Al26  1  0.882109  0.886367  0.465101  1
  Al  Al27  1  0.139022  0.612536  0.471932  1
  Al  Al28  1  0.996050  0.970953  0.515451  1
  Al  Al29  1  0.455795  0.488712  0.510150  1
  Al  Al30  1  0.313162  0.854071  0.551204  1
  Al  Al31  1  0.212497  0.215097  0.516989  1
  Al  Al32  1  0.382109  0.886367  0.465101  1
  Al  Al33  1  0.639022  0.612536  0.471932  1
  Al  Al34  1  0.496050  0.970953  0.515451  1
  Al  Al35  1  0.955795  0.488712  0.510150  1
  Al  Al36  1  0.813162  0.854071  0.551204  1
  Al  Al37  1  0.429957  0.936853  0.603075  1
  Al  Al38  1  0.600110  0.609956  0.548996  1
  Al  Al39  1  0.858171  0.334938  0.555821  1
  Al  Al40  1  0.713299  0.698044  0.599898  1
  Al  Al41  1  0.171959  0.214166  0.594745  1
  Al  Al42  1  0.040633  0.586756  0.633481  1
  Al  Al43  1  0.929957  0.936853  0.603075  1
  Al  Al44  1  0.100110  0.609956  0.548996  1
  Al  Al45  1  0.358171  0.334938  0.555821  1
  Al  Al46  1  0.213299  0.698044  0.599898  1
  Al  Al47  1  0.671959  0.214166  0.594745  1
  Al  Al48  1  0.540633  0.586756  0.633481  1
  Al  Al49  1  0.211302  0.706147  0.684293  1
  Al  Al50  1  0.325371  0.338432  0.632713  1
  Al  Al51  1  0.577459  0.065321  0.640132  1
  Al  Al52  1  0.444142  0.429388  0.681866  1
  Al  Al53  1  0.845302  0.950319  0.677496  1
  Al  Al54  1  0.728999  0.311256  0.713545  1
  Al  Al55  1  0.711302  0.706147  0.684293  1
  Al  Al56  1  0.825371  0.338432  0.632713  1
  Al  Al57  1  0.077459  0.065321  0.640132  1
  Al  Al58  1  0.944142  0.429388  0.681866  1
  Al  Al59  1  0.345302  0.950319  0.677496  1
  Al  Al60  1  0.228999  0.311256  0.713545  1
  Ni  Ni61  1  0.442517  0.911322  0.304594  1
  Ni  Ni62  1  0.284219  0.280334  0.345684  1
  Ni  Ni63  1  0.212155  0.895244  0.307808  1
  Ni  Ni64  1  0.029291  0.294856  0.340211  1
  Ni  Ni65  1  0.531896  0.779542  0.342646  1
  Ni  Ni66  1  0.663284  0.426515  0.307777  1
  Ni  Ni67  1  0.297428  0.997870  0.343977  1
  Ni  Ni68  1  0.439118  0.664823  0.309526  1
  Ni  Ni69  1  0.153089  0.922815  0.385656  1
  Ni  Ni70  1  0.293285  0.524453  0.338795  1
  Ni  Ni71  1  0.942517  0.911322  0.304594  1
  Ni  Ni72  1  0.784219  0.280334  0.345684  1
  Ni  Ni73  1  0.712155  0.895244  0.307808  1
  Ni  Ni74  1  0.529291  0.294856  0.340211  1
  Ni  Ni75  1  0.031896  0.779542  0.342646  1
  Ni  Ni76  1  0.163284  0.426515  0.307777  1
  Ni  Ni77  1  0.797428  0.997870  0.343977  1
  Ni  Ni78  1  0.939118  0.664823  0.309526  1
  Ni  Ni79  1  0.653089  0.922815  0.385656  1
  Ni  Ni80  1  0.793285  0.524453  0.338795  1
  Ni  Ni81  1  0.158563  0.652836  0.383892  1
  Ni  Ni82  1  1.002173  0.999709  0.429674  1
  Ni  Ni83  1  0.914452  0.638312  0.390466  1
  Ni  Ni84  1  0.744883  0.014711  0.424123  1
  Ni  Ni85  1  0.241448  0.510881  0.426144  1
  Ni  Ni86  1  0.419843  0.143086  0.386524  1
  Ni  Ni87  1  0.007618  0.731084  0.427698  1
  Ni  Ni88  1  0.139961  0.404476  0.392091  1
  Ni  Ni89  1  0.868444  0.647054  0.470527  1
  Ni  Ni90  1  0.025276  0.243589  0.421784  1
  Ni  Ni91  1  0.658563  0.652836  0.383892  1
  Ni  Ni92  1  0.502173  0.999709  0.429674  1
  Ni  Ni93  1  0.414452  0.638312  0.390466  1
  Ni  Ni94  1  0.244883  0.014711  0.424123  1
  Ni  Ni95  1  0.741448  0.510881  0.426144  1
  Ni  Ni96  1  0.919843  0.143086  0.386524  1
  Ni  Ni97  1  0.507618  0.731084  0.427698  1
  Ni  Ni98  1  0.639961  0.404476  0.392091  1
  Ni  Ni99  1  0.368444  0.647054  0.470527  1
  Ni  Ni100  1  0.525276  0.243589  0.421784  1
  Ni  Ni101  1  0.875834  0.378028  0.467879  1
  Ni  Ni102  1  0.718707  0.723185  0.514154  1
  Ni  Ni103  1  0.634915  0.361830  0.473258  1
  Ni  Ni104  1  0.459986  0.739287  0.508762  1
  Ni  Ni105  1  0.959511  0.233605  0.510022  1
  Ni  Ni106  1  0.135146  0.867760  0.471996  1
  Ni  Ni107  1  0.726337  0.454276  0.511504  1
  Ni  Ni108  1  0.855620  0.132511  0.475229  1
  Ni  Ni109  1  0.587288  0.369971  0.554595  1
  Ni  Ni110  1  0.738944  0.968952  0.506802  1
  Ni  Ni111  1  0.375834  0.378028  0.467879  1
  Ni  Ni112  1  0.218707  0.723185  0.514154  1
  Ni  Ni113  1  0.134915  0.361830  0.473258  1
  Ni  Ni114  1  0.959986  0.739287  0.508762  1
  Ni  Ni115  1  0.459511  0.233605  0.510022  1
  Ni  Ni116  1  0.635146  0.867760  0.471996  1
  Ni  Ni117  1  0.226337  0.454276  0.511504  1
  Ni  Ni118  1  0.355620  0.132511  0.475229  1
  Ni  Ni119  1  0.087288  0.369971  0.554595  1
  Ni  Ni120  1  0.238944  0.968952  0.506802  1
  Ni  Ni121  1  0.592440  0.101347  0.552209  1
  Ni  Ni122  1  0.438915  0.451572  0.598256  1
  Ni  Ni123  1  0.349247  0.085401  0.557959  1
  Ni  Ni124  1  0.181409  0.463116  0.592220  1
  Ni  Ni125  1  0.677079  0.958197  0.594852  1
  Ni  Ni126  1  0.852413  0.590451  0.555924  1
  Ni  Ni127  1  0.442894  0.175902  0.595532  1
  Ni  Ni128  1  0.568976  0.857628  0.560356  1
  Ni  Ni129  1  0.306177  0.103564  0.638708  1
  Ni  Ni130  1  0.455089  0.694502  0.589920  1
  Ni  Ni131  1  0.092440  0.101347  0.552209  1
  Ni  Ni132  1  0.938915  0.451572  0.598256  1
  Ni  Ni133  1  0.849247  0.085401  0.557959  1
  Ni  Ni134  1  0.681409  0.463116  0.592220  1
  Ni  Ni135  1  0.177079  0.958197  0.594852  1
  Ni  Ni136  1  0.352413  0.590451  0.555924  1
  Ni  Ni137  1  0.942894  0.175902  0.595532  1
  Ni  Ni138  1  0.068976  0.857628  0.560356  1
  Ni  Ni139  1  0.806177  0.103564  0.638708  1
  Ni  Ni140  1  0.955089  0.694502  0.589920  1
  Ni  Ni141  1  0.306100  0.821448  0.638029  1
  Ni  Ni142  1  0.143738  0.188755  0.679075  1
  Ni  Ni143  1  0.057439  0.823152  0.646119  1
  Ni  Ni144  1  0.887197  0.201654  0.675595  1
  Ni  Ni145  1  0.470004  0.678058  0.678228  1
  Ni  Ni146  1  0.578242  0.327947  0.639842  1
  Ni  Ni147  1  0.082275  0.972251  0.685766  1
  Ni  Ni148  1  0.301197  0.581102  0.643249  1
  Ni  Ni149  1  1.002408  0.818444  0.713096  1
  Ni  Ni150  1  0.183842  0.452665  0.673104  1
  Ni  Ni151  1  0.806100  0.821448  0.638029  1
  Ni  Ni152  1  0.643738  0.188755  0.679075  1
  Ni  Ni153  1  0.557439  0.823152  0.646119  1
  Ni  Ni154  1  0.387197  0.201654  0.675595  1
  Ni  Ni155  1  0.970004  0.678058  0.678228  1
  Ni  Ni156  1  0.078242  0.327947  0.639842  1
  Ni  Ni157  1  0.582275  0.972251  0.685766  1
  Ni  Ni158  1  0.801197  0.581102  0.643249  1
  Ni  Ni159  1  0.502408  0.818444  0.713096  1
  Ni  Ni160  1  0.683842  0.452665  0.673104  1
