# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.93647622
_cell_length_b   12.47546205
_cell_length_c   48.53262825
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al48 Ni144'
_cell_volume   4558.68332537
_cell_formula_units_Z   48
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  0.139015  0.835641  0.292817  1
  Al  Al2  1  0.358219  0.275053  0.332295  1
  Al  Al3  1  0.247204  0.552362  0.311196  1
  Al  Al4  1  0.026935  0.110769  0.276147  1
  Al  Al5  1  0.747204  0.552362  0.311196  1
  Al  Al6  1  0.526935  0.110769  0.276147  1
  Al  Al7  1  0.639015  0.835641  0.292817  1
  Al  Al8  1  0.858219  0.275053  0.332295  1
  Al  Al9  1  0.580192  0.720003  0.370157  1
  Al  Al10  1  0.801487  0.163711  0.408783  1
  Al  Al11  1  0.691022  0.442249  0.389817  1
  Al  Al12  1  0.468938  0.997020  0.351542  1
  Al  Al13  1  0.191022  0.442249  0.389817  1
  Al  Al14  1  0.968938  0.997020  0.351542  1
  Al  Al15  1  0.080192  0.720003  0.370157  1
  Al  Al16  1  0.301487  0.163711  0.408783  1
  Al  Al17  1  0.022879  0.607614  0.447551  1
  Al  Al18  1  0.244235  0.051411  0.486123  1
  Al  Al19  1  0.133506  0.329399  0.466955  1
  Al  Al20  1  0.912008  0.885297  0.428501  1
  Al  Al21  1  0.633506  0.329399  0.466955  1
  Al  Al22  1  0.412008  0.885297  0.428501  1
  Al  Al23  1  0.522879  0.607614  0.447551  1
  Al  Al24  1  0.744235  0.051411  0.486123  1
  Al  Al25  1  0.465652  0.495349  0.524675  1
  Al  Al26  1  0.686933  0.938992  0.563356  1
  Al  Al27  1  0.576210  0.217002  0.544124  1
  Al  Al28  1  0.354842  0.773166  0.505524  1
  Al  Al29  1  0.076210  0.217002  0.544124  1
  Al  Al30  1  0.854842  0.773166  0.505524  1
  Al  Al31  1  0.965652  0.495349  0.524675  1
  Al  Al32  1  0.186933  0.938992  0.563356  1
  Al  Al33  1  0.908272  0.382777  0.601571  1
  Al  Al34  1  0.130409  0.828175  0.641471  1
  Al  Al35  1  0.018801  0.104360  0.621056  1
  Al  Al36  1  0.797689  0.661088  0.582770  1
  Al  Al37  1  0.518801  0.104360  0.621056  1
  Al  Al38  1  0.297689  0.661088  0.582770  1
  Al  Al39  1  0.408272  0.382777  0.601571  1
  Al  Al40  1  0.630409  0.828175  0.641471  1
  Al  Al41  1  0.351653  0.271720  0.678317  1
  Al  Al42  1  0.568585  0.706623  0.716540  1
  Al  Al43  1  0.463646  0.996306  0.697779  1
  Al  Al44  1  0.239834  0.547487  0.660184  1
  Al  Al45  1  0.963646  0.996306  0.697779  1
  Al  Al46  1  0.739834  0.547487  0.660184  1
  Al  Al47  1  0.851653  0.271720  0.678317  1
  Al  Al48  1  0.068585  0.706623  0.716540  1
  Ni  Ni49  1  0.441498  0.940884  0.303961  1
  Ni  Ni50  1  0.664492  0.387905  0.341827  1
  Ni  Ni51  1  0.027325  0.611559  0.276312  1
  Ni  Ni52  1  0.248055  0.054038  0.310971  1
  Ni  Ni53  1  0.334591  0.726397  0.284884  1
  Ni  Ni54  1  0.552882  0.164049  0.323331  1
  Ni  Ni55  1  0.553983  0.666283  0.322645  1
  Ni  Ni56  1  0.335153  0.227563  0.284073  1
  Ni  Ni57  1  0.358623  0.775848  0.332681  1
  Ni  Ni58  1  0.136910  0.331361  0.294293  1
  Ni  Ni59  1  0.664478  0.887720  0.341160  1
  Ni  Ni60  1  0.440830  0.439387  0.303297  1
  Ni  Ni61  1  0.053983  0.666283  0.322645  1
  Ni  Ni62  1  0.835153  0.227563  0.284073  1
  Ni  Ni63  1  0.858623  0.775848  0.332681  1
  Ni  Ni64  1  0.636910  0.331361  0.294293  1
  Ni  Ni65  1  0.164478  0.887720  0.341160  1
  Ni  Ni66  1  0.940830  0.439387  0.303297  1
  Ni  Ni67  1  0.941498  0.940884  0.303961  1
  Ni  Ni68  1  0.164492  0.387905  0.341827  1
  Ni  Ni69  1  0.527325  0.611559  0.276312  1
  Ni  Ni70  1  0.748055  0.054038  0.310971  1
  Ni  Ni71  1  0.834591  0.726397  0.284884  1
  Ni  Ni72  1  0.052882  0.164049  0.323331  1
  Ni  Ni73  1  0.885184  0.830350  0.380495  1
  Ni  Ni74  1  0.106834  0.274741  0.418770  1
  Ni  Ni75  1  0.469385  0.497908  0.351081  1
  Ni  Ni76  1  0.690853  0.941891  0.389557  1
  Ni  Ni77  1  0.774107  0.607514  0.360014  1
  Ni  Ni78  1  0.995954  0.052335  0.399626  1
  Ni  Ni79  1  0.996233  0.553004  0.399268  1
  Ni  Ni80  1  0.774292  0.107994  0.360322  1
  Ni  Ni81  1  0.801068  0.662880  0.408796  1
  Ni  Ni82  1  0.580120  0.219889  0.370752  1
  Ni  Ni83  1  0.106712  0.774363  0.418427  1
  Ni  Ni84  1  0.885826  0.331520  0.380176  1
  Ni  Ni85  1  0.496233  0.553004  0.399268  1
  Ni  Ni86  1  0.274292  0.107994  0.360322  1
  Ni  Ni87  1  0.301068  0.662880  0.408796  1
  Ni  Ni88  1  0.080120  0.219889  0.370752  1
  Ni  Ni89  1  0.606712  0.774363  0.418427  1
  Ni  Ni90  1  0.385826  0.331520  0.380176  1
  Ni  Ni91  1  0.385184  0.830350  0.380495  1
  Ni  Ni92  1  0.606834  0.274741  0.418770  1
  Ni  Ni93  1  0.969385  0.497908  0.351081  1
  Ni  Ni94  1  0.190853  0.941891  0.389557  1
  Ni  Ni95  1  0.274107  0.607514  0.360014  1
  Ni  Ni96  1  0.495954  0.052335  0.399626  1
  Ni  Ni97  1  0.327959  0.718101  0.457252  1
  Ni  Ni98  1  0.549479  0.162232  0.495894  1
  Ni  Ni99  1  0.912335  0.385967  0.428314  1
  Ni  Ni100  1  0.133510  0.829407  0.466755  1
  Ni  Ni101  1  0.217559  0.496650  0.438032  1
  Ni  Ni102  1  0.438816  0.940250  0.476622  1
  Ni  Ni103  1  0.438915  0.440543  0.476503  1
  Ni  Ni104  1  0.217598  0.996795  0.437857  1
  Ni  Ni105  1  0.244211  0.551365  0.486292  1
  Ni  Ni106  1  0.022811  0.107459  0.447718  1
  Ni  Ni107  1  0.549693  0.662541  0.495810  1
  Ni  Ni108  1  0.328228  0.218507  0.457107  1
  Ni  Ni109  1  0.938915  0.440543  0.476503  1
  Ni  Ni110  1  0.717598  0.996795  0.437857  1
  Ni  Ni111  1  0.744211  0.551365  0.486292  1
  Ni  Ni112  1  0.522811  0.107459  0.447718  1
  Ni  Ni113  1  0.049693  0.662541  0.495810  1
  Ni  Ni114  1  0.828228  0.218507  0.457107  1
  Ni  Ni115  1  0.827959  0.718101  0.457252  1
  Ni  Ni116  1  0.049479  0.162232  0.495894  1
  Ni  Ni117  1  0.412335  0.385967  0.428314  1
  Ni  Ni118  1  0.633510  0.829407  0.466755  1
  Ni  Ni119  1  0.717559  0.496650  0.438032  1
  Ni  Ni120  1  0.938816  0.940250  0.476622  1
  Ni  Ni121  1  0.770943  0.606268  0.534564  1
  Ni  Ni122  1  0.992149  0.049755  0.572940  1
  Ni  Ni123  1  0.354865  0.273220  0.505362  1
  Ni  Ni124  1  0.576504  0.717597  0.544157  1
  Ni  Ni125  1  0.660178  0.384080  0.515171  1
  Ni  Ni126  1  0.881644  0.828088  0.553785  1
  Ni  Ni127  1  0.881545  0.327997  0.553519  1
  Ni  Ni128  1  0.660224  0.884252  0.515075  1
  Ni  Ni129  1  0.686855  0.438860  0.563438  1
  Ni  Ni130  1  0.465506  0.995043  0.524786  1
  Ni  Ni131  1  0.992439  0.550239  0.572780  1
  Ni  Ni132  1  0.770931  0.106114  0.534374  1
  Ni  Ni133  1  0.381545  0.327997  0.553519  1
  Ni  Ni134  1  0.160224  0.884252  0.515075  1
  Ni  Ni135  1  0.186855  0.438860  0.563438  1
  Ni  Ni136  1  0.965506  0.995043  0.524786  1
  Ni  Ni137  1  0.492439  0.550239  0.572780  1
  Ni  Ni138  1  0.270931  0.106114  0.534374  1
  Ni  Ni139  1  0.270943  0.606268  0.534564  1
  Ni  Ni140  1  0.492149  0.049755  0.572940  1
  Ni  Ni141  1  0.854865  0.273220  0.505362  1
  Ni  Ni142  1  0.076504  0.717597  0.544157  1
  Ni  Ni143  1  0.160178  0.384080  0.515171  1
  Ni  Ni144  1  0.381644  0.828088  0.553785  1
  Ni  Ni145  1  0.213462  0.493514  0.611783  1
  Ni  Ni146  1  0.435374  0.938403  0.650211  1
  Ni  Ni147  1  0.797554  0.160796  0.582642  1
  Ni  Ni148  1  0.019107  0.604998  0.620741  1
  Ni  Ni149  1  0.102968  0.271853  0.592424  1
  Ni  Ni150  1  0.324231  0.715520  0.630990  1
  Ni  Ni151  1  0.324404  0.215907  0.630786  1
  Ni  Ni152  1  0.103390  0.772802  0.592667  1
  Ni  Ni153  1  0.130230  0.327752  0.641031  1
  Ni  Ni154  1  0.908364  0.882945  0.602038  1
  Ni  Ni155  1  0.435482  0.438400  0.649316  1
  Ni  Ni156  1  0.213378  0.993198  0.611681  1
  Ni  Ni157  1  0.824404  0.215907  0.630786  1
  Ni  Ni158  1  0.603390  0.772802  0.592667  1
  Ni  Ni159  1  0.630230  0.327752  0.641031  1
  Ni  Ni160  1  0.408364  0.882945  0.602038  1
  Ni  Ni161  1  0.935482  0.438400  0.649316  1
  Ni  Ni162  1  0.713378  0.993198  0.611681  1
  Ni  Ni163  1  0.713462  0.493514  0.611783  1
  Ni  Ni164  1  0.935374  0.938403  0.650211  1
  Ni  Ni165  1  0.297554  0.160796  0.582642  1
  Ni  Ni166  1  0.519107  0.604998  0.620741  1
  Ni  Ni167  1  0.602968  0.271853  0.592424  1
  Ni  Ni168  1  0.824231  0.715520  0.630990  1
  Ni  Ni169  1  0.656914  0.382665  0.690436  1
  Ni  Ni170  1  0.876919  0.823746  0.725068  1
  Ni  Ni171  1  0.239962  0.047812  0.659943  1
  Ni  Ni172  1  0.463306  0.495436  0.696709  1
  Ni  Ni173  1  0.546171  0.160407  0.668502  1
  Ni  Ni174  1  0.764957  0.599010  0.708267  1
  Ni  Ni175  1  0.767043  0.103496  0.707825  1
  Ni  Ni176  1  0.545897  0.659914  0.668431  1
  Ni  Ni177  1  0.569826  0.209329  0.716108  1
  Ni  Ni178  1  0.350377  0.769175  0.678545  1
  Ni  Ni179  1  0.878158  0.326367  0.725519  1
  Ni  Ni180  1  0.656444  0.881720  0.690526  1
  Ni  Ni181  1  0.267043  0.103496  0.707825  1
  Ni  Ni182  1  0.045897  0.659914  0.668431  1
  Ni  Ni183  1  0.069826  0.209329  0.716108  1
  Ni  Ni184  1  0.850377  0.769175  0.678545  1
  Ni  Ni185  1  0.378158  0.326367  0.725519  1
  Ni  Ni186  1  0.156444  0.881720  0.690526  1
  Ni  Ni187  1  0.156914  0.382665  0.690436  1
  Ni  Ni188  1  0.376919  0.823746  0.725068  1
  Ni  Ni189  1  0.739962  0.047812  0.659943  1
  Ni  Ni190  1  0.963306  0.495436  0.696709  1
  Ni  Ni191  1  0.046171  0.160407  0.668502  1
  Ni  Ni192  1  0.264957  0.599010  0.708267  1
