# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01286072
_cell_length_b   18.17849975
_cell_length_c   51.62037237
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al48 Ni144'
_cell_volume   4703.9728811
_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  0.552827  0.145469  0.294394  1
  Al  Al2  1  0.552827  0.839838  0.257659  1
  Al  Al3  1  0.552827  0.450422  0.331527  1
  Al  Al4  1  1.052827  0.316451  0.325500  1
  Al  Al5  1  1.052827  0.011707  0.288538  1
  Al  Al6  1  1.052827  0.709137  0.251692  1
  Al  Al7  1  1.052827  0.209137  0.251692  1
  Al  Al8  1  1.052827  0.816451  0.325500  1
  Al  Al9  1  1.052827  0.511707  0.288538  1
  Al  Al10  1  0.552827  0.339838  0.257659  1
  Al  Al11  1  0.552827  0.950422  0.331527  1
  Al  Al12  1  0.552827  0.645469  0.294394  1
  Al  Al13  1  0.552827  0.059129  0.405768  1
  Al  Al14  1  0.552827  0.754715  0.368687  1
  Al  Al15  1  0.552827  0.363525  0.442850  1
  Al  Al16  1  1.052827  0.229541  0.436801  1
  Al  Al17  1  1.052827  0.925143  0.399716  1
  Al  Al18  1  1.052827  0.620667  0.362602  1
  Al  Al19  1  1.052827  0.120667  0.362602  1
  Al  Al20  1  1.052827  0.729541  0.436801  1
  Al  Al21  1  1.052827  0.425143  0.399716  1
  Al  Al22  1  0.552827  0.254715  0.368687  1
  Al  Al23  1  0.552827  0.863525  0.442850  1
  Al  Al24  1  0.552827  0.559129  0.405768  1
  Al  Al25  1  0.552827  0.972345  0.517027  1
  Al  Al26  1  0.552827  0.667947  0.479941  1
  Al  Al27  1  0.552827  0.276820  0.554140  1
  Al  Al28  1  1.052827  0.142772  0.548055  1
  Al  Al29  1  1.052827  0.838359  0.510974  1
  Al  Al30  1  1.052827  0.533962  0.473892  1
  Al  Al31  1  1.052827  0.033962  0.473892  1
  Al  Al32  1  1.052827  0.642772  0.548055  1
  Al  Al33  1  1.052827  0.338359  0.510974  1
  Al  Al34  1  0.552827  0.167947  0.479941  1
  Al  Al35  1  0.552827  0.776820  0.554140  1
  Al  Al36  1  0.552827  0.472345  0.517027  1
  Al  Al37  1  0.552827  0.885780  0.628204  1
  Al  Al38  1  0.552827  0.581036  0.591242  1
  Al  Al39  1  0.552827  0.188351  0.665050  1
  Al  Al40  1  1.052827  0.057650  0.659083  1
  Al  Al41  1  1.052827  0.752018  0.622348  1
  Al  Al42  1  1.052827  0.447065  0.585215  1
  Al  Al43  1  1.052827  0.947065  0.585215  1
  Al  Al44  1  1.052827  0.557650  0.659083  1
  Al  Al45  1  1.052827  0.252018  0.622348  1
  Al  Al46  1  0.552827  0.081036  0.591242  1
  Al  Al47  1  0.552827  0.688351  0.665050  1
  Al  Al48  1  0.552827  0.385780  0.628204  1
  Ni  Ni49  1  0.302647  0.065831  0.325262  1
  Ni  Ni50  1  0.302855  0.761195  0.288531  1
  Ni  Ni51  1  0.302942  0.457590  0.250573  1
  Ni  Ni52  1  1.052827  0.145802  0.294935  1
  Ni  Ni53  1  1.052827  0.842629  0.257953  1
  Ni  Ni54  1  1.052827  0.450633  0.331970  1
  Ni  Ni55  1  0.301622  0.091788  0.256917  1
  Ni  Ni56  1  0.303334  0.700576  0.331880  1
  Ni  Ni57  1  0.303499  0.396570  0.294853  1
  Ni  Ni58  1  0.802320  0.200576  0.331880  1
  Ni  Ni59  1  0.802154  0.896570  0.294853  1
  Ni  Ni60  1  0.804031  0.591788  0.256917  1
  Ni  Ni61  1  0.552827  0.316141  0.325257  1
  Ni  Ni62  1  0.552827  0.011909  0.288061  1
  Ni  Ni63  1  0.552827  0.707805  0.250556  1
  Ni  Ni64  1  0.802798  0.261195  0.288531  1
  Ni  Ni65  1  0.802711  0.957590  0.250573  1
  Ni  Ni66  1  0.803006  0.565831  0.325262  1
  Ni  Ni67  1  0.804031  0.091788  0.256917  1
  Ni  Ni68  1  0.802320  0.700576  0.331880  1
  Ni  Ni69  1  0.802154  0.396570  0.294853  1
  Ni  Ni70  1  0.552827  0.207805  0.250556  1
  Ni  Ni71  1  0.552827  0.816141  0.325257  1
  Ni  Ni72  1  0.552827  0.511909  0.288061  1
  Ni  Ni73  1  0.803006  0.065831  0.325262  1
  Ni  Ni74  1  0.802798  0.761195  0.288531  1
  Ni  Ni75  1  0.802711  0.457590  0.250573  1
  Ni  Ni76  1  0.302855  0.261195  0.288531  1
  Ni  Ni77  1  0.302942  0.957590  0.250573  1
  Ni  Ni78  1  0.302647  0.565831  0.325262  1
  Ni  Ni79  1  1.052827  0.342629  0.257953  1
  Ni  Ni80  1  1.052827  0.950633  0.331970  1
  Ni  Ni81  1  1.052827  0.645802  0.294935  1
  Ni  Ni82  1  0.303334  0.200576  0.331880  1
  Ni  Ni83  1  0.303499  0.896570  0.294853  1
  Ni  Ni84  1  0.301622  0.591788  0.256917  1
  Ni  Ni85  1  0.302485  0.979164  0.436544  1
  Ni  Ni86  1  0.302456  0.674743  0.399444  1
  Ni  Ni87  1  0.302524  0.370378  0.362369  1
  Ni  Ni88  1  1.052827  0.059436  0.406091  1
  Ni  Ni89  1  1.052827  0.755041  0.368987  1
  Ni  Ni90  1  1.052827  0.363834  0.443179  1
  Ni  Ni91  1  0.303234  0.005097  0.368942  1
  Ni  Ni92  1  0.303151  0.613926  0.443113  1
  Ni  Ni93  1  0.303130  0.309506  0.406022  1
  Ni  Ni94  1  0.802503  0.113926  0.443113  1
  Ni  Ni95  1  0.802523  0.809506  0.406022  1
  Ni  Ni96  1  0.802419  0.505097  0.368942  1
  Ni  Ni97  1  0.552827  0.229234  0.436467  1
  Ni  Ni98  1  0.552827  0.924828  0.399396  1
  Ni  Ni99  1  0.552827  0.620367  0.362298  1
  Ni  Ni100  1  0.803197  0.174743  0.399444  1
  Ni  Ni101  1  0.803129  0.870378  0.362369  1
  Ni  Ni102  1  0.803168  0.479164  0.436544  1
  Ni  Ni103  1  0.802419  0.005097  0.368942  1
  Ni  Ni104  1  0.802503  0.613926  0.443113  1
  Ni  Ni105  1  0.802523  0.309506  0.406022  1
  Ni  Ni106  1  0.552827  0.120367  0.362298  1
  Ni  Ni107  1  0.552827  0.729234  0.436467  1
  Ni  Ni108  1  0.552827  0.424828  0.399396  1
  Ni  Ni109  1  0.803168  0.979164  0.436544  1
  Ni  Ni110  1  0.803197  0.674743  0.399444  1
  Ni  Ni111  1  0.803129  0.370378  0.362369  1
  Ni  Ni112  1  0.302456  0.174743  0.399444  1
  Ni  Ni113  1  0.302524  0.870378  0.362369  1
  Ni  Ni114  1  0.302485  0.479164  0.436544  1
  Ni  Ni115  1  1.052827  0.255041  0.368987  1
  Ni  Ni116  1  1.052827  0.863834  0.443179  1
  Ni  Ni117  1  1.052827  0.559436  0.406091  1
  Ni  Ni118  1  0.303151  0.113926  0.443113  1
  Ni  Ni119  1  0.303130  0.809506  0.406022  1
  Ni  Ni120  1  0.303234  0.505097  0.368942  1
  Ni  Ni121  1  0.302419  0.892390  0.547800  1
  Ni  Ni122  1  0.302523  0.587982  0.510720  1
  Ni  Ni123  1  0.302503  0.283562  0.473629  1
  Ni  Ni124  1  1.052827  0.972659  0.517346  1
  Ni  Ni125  1  1.052827  0.668253  0.480275  1
  Ni  Ni126  1  1.052827  0.277120  0.554444  1
  Ni  Ni127  1  0.303168  0.918323  0.480198  1
  Ni  Ni128  1  0.303129  0.527109  0.554373  1
  Ni  Ni129  1  0.303197  0.222744  0.517298  1
  Ni  Ni130  1  0.802524  0.027109  0.554373  1
  Ni  Ni131  1  0.802456  0.722744  0.517298  1
  Ni  Ni132  1  0.802485  0.418323  0.480198  1
  Ni  Ni133  1  0.552827  0.142446  0.547755  1
  Ni  Ni134  1  0.552827  0.838052  0.510651  1
  Ni  Ni135  1  0.552827  0.533653  0.473563  1
  Ni  Ni136  1  0.803130  0.087982  0.510720  1
  Ni  Ni137  1  0.803151  0.783562  0.473629  1
  Ni  Ni138  1  0.803234  0.392390  0.547800  1
  Ni  Ni139  1  0.802485  0.918323  0.480198  1
  Ni  Ni140  1  0.802524  0.527109  0.554373  1
  Ni  Ni141  1  0.802456  0.222744  0.517298  1
  Ni  Ni142  1  0.552827  0.033653  0.473563  1
  Ni  Ni143  1  0.552827  0.642446  0.547755  1
  Ni  Ni144  1  0.552827  0.338052  0.510651  1
  Ni  Ni145  1  0.803234  0.892390  0.547800  1
  Ni  Ni146  1  0.803130  0.587982  0.510720  1
  Ni  Ni147  1  0.803151  0.283562  0.473629  1
  Ni  Ni148  1  0.302523  0.087982  0.510720  1
  Ni  Ni149  1  0.302503  0.783562  0.473629  1
  Ni  Ni150  1  0.302419  0.392390  0.547800  1
  Ni  Ni151  1  1.052827  0.168253  0.480275  1
  Ni  Ni152  1  1.052827  0.777120  0.554444  1
  Ni  Ni153  1  1.052827  0.472659  0.517346  1
  Ni  Ni154  1  0.303129  0.027109  0.554373  1
  Ni  Ni155  1  0.303197  0.722744  0.517298  1
  Ni  Ni156  1  0.303168  0.418323  0.480198  1
  Ni  Ni157  1  0.304031  0.805700  0.659825  1
  Ni  Ni158  1  0.302154  0.500918  0.621890  1
  Ni  Ni159  1  0.302320  0.196912  0.584862  1
  Ni  Ni160  1  1.052827  0.885579  0.628681  1
  Ni  Ni161  1  1.052827  0.581347  0.591485  1
  Ni  Ni162  1  1.052827  0.189682  0.666186  1
  Ni  Ni163  1  0.303006  0.831656  0.591480  1
  Ni  Ni164  1  0.302711  0.439898  0.666169  1
  Ni  Ni165  1  0.302798  0.136293  0.628211  1
  Ni  Ni166  1  0.802942  0.939898  0.666169  1
  Ni  Ni167  1  0.802855  0.636293  0.628211  1
  Ni  Ni168  1  0.802647  0.331656  0.591480  1
  Ni  Ni169  1  0.552827  0.054858  0.658789  1
  Ni  Ni170  1  0.552827  0.751686  0.621807  1
  Ni  Ni171  1  0.552827  0.446854  0.584772  1
  Ni  Ni172  1  0.803499  0.000918  0.621890  1
  Ni  Ni173  1  0.803334  0.696912  0.584862  1
  Ni  Ni174  1  0.801622  0.305700  0.659825  1
  Ni  Ni175  1  0.802647  0.831656  0.591480  1
  Ni  Ni176  1  0.802942  0.439898  0.666169  1
  Ni  Ni177  1  0.802855  0.136293  0.628211  1
  Ni  Ni178  1  0.552827  0.946854  0.584772  1
  Ni  Ni179  1  0.552827  0.554858  0.658789  1
  Ni  Ni180  1  0.552827  0.251686  0.621807  1
  Ni  Ni181  1  0.801622  0.805700  0.659825  1
  Ni  Ni182  1  0.803499  0.500918  0.621890  1
  Ni  Ni183  1  0.803334  0.196912  0.584862  1
  Ni  Ni184  1  0.302154  0.000918  0.621890  1
  Ni  Ni185  1  0.302320  0.696912  0.584862  1
  Ni  Ni186  1  0.304031  0.305700  0.659825  1
  Ni  Ni187  1  1.052827  0.081347  0.591485  1
  Ni  Ni188  1  1.052827  0.689682  0.666186  1
  Ni  Ni189  1  1.052827  0.385579  0.628681  1
  Ni  Ni190  1  0.302711  0.939898  0.666169  1
  Ni  Ni191  1  0.302798  0.636293  0.628211  1
  Ni  Ni192  1  0.303006  0.331656  0.591480  1
