# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.93380725
_cell_length_b   9.78804079
_cell_length_c   51.25711262
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al60 Ni100'
_cell_volume   3980.44432329
_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  0.504513  0.970146  0.277309  1
  Al  Al2  1  0.504513  0.314626  0.322941  1
  Al  Al3  1  0.775111  0.153944  0.296897  1
  Al  Al4  1  0.766593  0.482235  0.343934  1
  Al  Al5  1  0.233916  0.153944  0.296897  1
  Al  Al6  1  0.242434  0.482235  0.343934  1
  Al  Al7  1  0.004513  0.814626  0.322941  1
  Al  Al8  1  0.004513  0.470146  0.277309  1
  Al  Al9  1  0.266593  0.982235  0.343934  1
  Al  Al10  1  0.275111  0.653944  0.296897  1
  Al  Al11  1  0.742434  0.982235  0.343934  1
  Al  Al12  1  0.733916  0.653944  0.296897  1
  Al  Al13  1  0.504513  0.646323  0.367427  1
  Al  Al14  1  0.504513  0.974790  0.412136  1
  Al  Al15  1  0.763386  0.809778  0.389173  1
  Al  Al16  1  0.763774  0.139136  0.434940  1
  Al  Al17  1  0.245640  0.809778  0.389173  1
  Al  Al18  1  0.245253  0.139136  0.434940  1
  Al  Al19  1  0.004513  0.474790  0.412136  1
  Al  Al20  1  0.004513  0.146323  0.367427  1
  Al  Al21  1  0.263774  0.639136  0.434940  1
  Al  Al22  1  0.263386  0.309778  0.389173  1
  Al  Al23  1  0.745253  0.639136  0.434940  1
  Al  Al24  1  0.745640  0.309778  0.389173  1
  Al  Al25  1  0.504513  0.303859  0.457513  1
  Al  Al26  1  0.504513  0.632492  0.503275  1
  Al  Al27  1  0.764529  0.467982  0.480469  1
  Al  Al28  1  0.764467  0.796828  0.525994  1
  Al  Al29  1  0.244497  0.467982  0.480469  1
  Al  Al30  1  0.244559  0.796828  0.525994  1
  Al  Al31  1  0.004513  0.132492  0.503275  1
  Al  Al32  1  0.004513  0.803859  0.457513  1
  Al  Al33  1  0.264467  0.296828  0.525994  1
  Al  Al34  1  0.264529  0.967982  0.480469  1
  Al  Al35  1  0.744559  0.296828  0.525994  1
  Al  Al36  1  0.744497  0.967982  0.480469  1
  Al  Al37  1  0.504513  0.961324  0.549028  1
  Al  Al38  1  0.504513  0.290317  0.594246  1
  Al  Al39  1  0.763766  0.125767  0.571605  1
  Al  Al40  1  0.763746  0.454146  0.617100  1
  Al  Al41  1  0.245261  0.125767  0.571605  1
  Al  Al42  1  0.245281  0.454146  0.617100  1
  Al  Al43  1  0.004513  0.790317  0.594246  1
  Al  Al44  1  0.004513  0.461324  0.549028  1
  Al  Al45  1  0.263746  0.954146  0.617100  1
  Al  Al46  1  0.263766  0.625767  0.571605  1
  Al  Al47  1  0.745281  0.954146  0.617100  1
  Al  Al48  1  0.745261  0.625767  0.571605  1
  Al  Al49  1  0.504513  0.620031  0.639488  1
  Al  Al50  1  0.504513  0.956027  0.682221  1
  Al  Al51  1  0.769711  0.781119  0.662705  1
  Al  Al52  1  0.774966  0.103245  0.708547  1
  Al  Al53  1  0.239316  0.781119  0.662705  1
  Al  Al54  1  0.234061  0.103245  0.708547  1
  Al  Al55  1  0.004513  0.456027  0.682221  1
  Al  Al56  1  0.004513  0.120031  0.639488  1
  Al  Al57  1  0.274966  0.603245  0.708547  1
  Al  Al58  1  0.269711  0.281119  0.662705  1
  Al  Al59  1  0.734061  0.603245  0.708547  1
  Al  Al60  1  0.739316  0.281119  0.662705  1
  Ni  Ni61  1  0.504513  0.816841  0.319925  1
  Ni  Ni62  1  0.504513  0.499484  0.277864  1
  Ni  Ni63  1  0.258992  0.730645  0.343352  1
  Ni  Ni64  1  0.261868  0.401207  0.299565  1
  Ni  Ni65  1  0.750034  0.730645  0.343352  1
  Ni  Ni66  1  0.747158  0.401207  0.299565  1
  Ni  Ni67  1  0.504513  0.239680  0.278536  1
  Ni  Ni68  1  0.504513  0.563139  0.323642  1
  Ni  Ni69  1  0.504513  0.070730  0.319718  1
  Ni  Ni70  1  0.504513  0.400136  0.366592  1
  Ni  Ni71  1  0.004513  0.999484  0.277864  1
  Ni  Ni72  1  0.004513  0.316841  0.319925  1
  Ni  Ni73  1  0.761868  0.901207  0.299565  1
  Ni  Ni74  1  0.758992  0.230645  0.343352  1
  Ni  Ni75  1  0.247158  0.901207  0.299565  1
  Ni  Ni76  1  0.250034  0.230645  0.343352  1
  Ni  Ni77  1  0.004513  0.063139  0.323642  1
  Ni  Ni78  1  0.004513  0.739680  0.278536  1
  Ni  Ni79  1  0.004513  0.900136  0.366592  1
  Ni  Ni80  1  0.004513  0.570730  0.319718  1
  Ni  Ni81  1  0.504513  0.475518  0.412382  1
  Ni  Ni82  1  0.504513  0.147198  0.365943  1
  Ni  Ni83  1  0.254041  0.389035  0.434874  1
  Ni  Ni84  1  0.255818  0.059932  0.389453  1
  Ni  Ni85  1  0.754985  0.389035  0.434874  1
  Ni  Ni86  1  0.753208  0.059932  0.389453  1
  Ni  Ni87  1  0.504513  0.893061  0.367055  1
  Ni  Ni88  1  0.504513  0.222540  0.412523  1
  Ni  Ni89  1  0.504513  0.727930  0.411881  1
  Ni  Ni90  1  0.504513  0.056283  0.457011  1
  Ni  Ni91  1  0.004513  0.647198  0.365943  1
  Ni  Ni92  1  0.004513  0.975518  0.412382  1
  Ni  Ni93  1  0.755818  0.559932  0.389453  1
  Ni  Ni94  1  0.754041  0.889035  0.434874  1
  Ni  Ni95  1  0.253208  0.559932  0.389453  1
  Ni  Ni96  1  0.254985  0.889035  0.434874  1
  Ni  Ni97  1  0.004513  0.722540  0.412523  1
  Ni  Ni98  1  0.004513  0.393061  0.367055  1
  Ni  Ni99  1  0.004513  0.556283  0.457011  1
  Ni  Ni100  1  0.004513  0.227930  0.411881  1
  Ni  Ni101  1  0.504513  0.132483  0.503241  1
  Ni  Ni102  1  0.504513  0.803962  0.457935  1
  Ni  Ni103  1  0.254904  0.046821  0.526039  1
  Ni  Ni104  1  0.254164  0.717998  0.480466  1
  Ni  Ni105  1  0.754122  0.046821  0.526039  1
  Ni  Ni106  1  0.754862  0.717998  0.480466  1
  Ni  Ni107  1  0.504513  0.551527  0.458462  1
  Ni  Ni108  1  0.504513  0.880180  0.504114  1
  Ni  Ni109  1  0.504513  0.384856  0.502404  1
  Ni  Ni110  1  0.504513  0.713610  0.548091  1
  Ni  Ni111  1  0.004513  0.303962  0.457935  1
  Ni  Ni112  1  0.004513  0.632483  0.503241  1
  Ni  Ni113  1  0.754164  0.217998  0.480466  1
  Ni  Ni114  1  0.754904  0.546821  0.526039  1
  Ni  Ni115  1  0.254862  0.217998  0.480466  1
  Ni  Ni116  1  0.254122  0.546821  0.526039  1
  Ni  Ni117  1  0.004513  0.380180  0.504114  1
  Ni  Ni118  1  0.004513  0.051527  0.458462  1
  Ni  Ni119  1  0.004513  0.213610  0.548091  1
  Ni  Ni120  1  0.004513  0.884856  0.502404  1
  Ni  Ni121  1  0.504513  0.789503  0.594188  1
  Ni  Ni122  1  0.504513  0.461207  0.548608  1
  Ni  Ni123  1  0.252689  0.704060  0.617196  1
  Ni  Ni124  1  0.254879  0.375743  0.571495  1
  Ni  Ni125  1  0.756337  0.704060  0.617196  1
  Ni  Ni126  1  0.754148  0.375743  0.571495  1
  Ni  Ni127  1  0.504513  0.208758  0.549449  1
  Ni  Ni128  1  0.504513  0.537391  0.594768  1
  Ni  Ni129  1  0.504513  0.042952  0.594138  1
  Ni  Ni130  1  0.504513  0.373359  0.639051  1
  Ni  Ni131  1  0.004513  0.961207  0.548608  1
  Ni  Ni132  1  0.004513  0.289503  0.594188  1
  Ni  Ni133  1  0.754879  0.875743  0.571495  1
  Ni  Ni134  1  0.752689  0.204060  0.617196  1
  Ni  Ni135  1  0.254148  0.875743  0.571495  1
  Ni  Ni136  1  0.256337  0.204060  0.617196  1
  Ni  Ni137  1  0.004513  0.037391  0.594768  1
  Ni  Ni138  1  0.004513  0.708758  0.549449  1
  Ni  Ni139  1  0.004513  0.873359  0.639051  1
  Ni  Ni140  1  0.004513  0.542952  0.594138  1
  Ni  Ni141  1  0.504513  0.451250  0.685902  1
  Ni  Ni142  1  0.504513  0.119932  0.641260  1
  Ni  Ni143  1  0.243596  0.354810  0.707224  1
  Ni  Ni144  1  0.248923  0.032752  0.662283  1
  Ni  Ni145  1  0.765430  0.354810  0.707224  1
  Ni  Ni146  1  0.760103  0.032752  0.662283  1
  Ni  Ni147  1  0.504513  0.864773  0.639826  1
  Ni  Ni148  1  0.504513  0.199354  0.689860  1
  Ni  Ni149  1  0.504513  0.706641  0.683792  1
  Ni  Ni150  1  0.504513  0.007637  0.727111  1
  Ni  Ni151  1  0.004513  0.619932  0.641260  1
  Ni  Ni152  1  0.004513  0.951250  0.685902  1
  Ni  Ni153  1  0.748923  0.532752  0.662283  1
  Ni  Ni154  1  0.743596  0.854810  0.707224  1
  Ni  Ni155  1  0.260103  0.532752  0.662283  1
  Ni  Ni156  1  0.265430  0.854810  0.707224  1
  Ni  Ni157  1  0.004513  0.699354  0.689860  1
  Ni  Ni158  1  0.004513  0.364773  0.639826  1
  Ni  Ni159  1  0.004513  0.507637  0.727111  1
  Ni  Ni160  1  0.004513  0.206641  0.683792  1
