# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01285714
_cell_length_b   18.18444751
_cell_length_c   51.60278398
_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   4703.90531728
_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  1.052827  0.316230  0.325631  1
  Al  Al2  1  1.052827  0.011469  0.288663  1
  Al  Al3  1  1.052827  0.708876  0.251809  1
  Al  Al4  1  0.552827  0.145222  0.294515  1
  Al  Al5  1  0.552827  0.839571  0.257769  1
  Al  Al6  1  0.552827  0.450194  0.331655  1
  Al  Al7  1  0.552827  0.339571  0.257769  1
  Al  Al8  1  0.552827  0.950194  0.331655  1
  Al  Al9  1  0.552827  0.645222  0.294515  1
  Al  Al10  1  1.052827  0.208876  0.251809  1
  Al  Al11  1  1.052827  0.816230  0.325631  1
  Al  Al12  1  1.052827  0.511469  0.288663  1
  Al  Al13  1  1.052827  0.229377  0.436955  1
  Al  Al14  1  1.052827  0.924960  0.399862  1
  Al  Al15  1  1.052827  0.620466  0.362742  1
  Al  Al16  1  0.552827  0.058939  0.405911  1
  Al  Al17  1  0.552827  0.754507  0.368823  1
  Al  Al18  1  0.552827  0.363355  0.443001  1
  Al  Al19  1  0.552827  0.254507  0.368823  1
  Al  Al20  1  0.552827  0.863355  0.443001  1
  Al  Al21  1  0.552827  0.558939  0.405911  1
  Al  Al22  1  1.052827  0.120466  0.362742  1
  Al  Al23  1  1.052827  0.729377  0.436955  1
  Al  Al24  1  1.052827  0.424960  0.399862  1
  Al  Al25  1  1.052827  0.142665  0.548231  1
  Al  Al26  1  1.052827  0.838234  0.511143  1
  Al  Al27  1  1.052827  0.533817  0.474053  1
  Al  Al28  1  0.552827  0.972213  0.517193  1
  Al  Al29  1  0.552827  0.667795  0.480100  1
  Al  Al30  1  0.552827  0.276706  0.554313  1
  Al  Al31  1  0.552827  0.167795  0.480100  1
  Al  Al32  1  0.552827  0.776706  0.554313  1
  Al  Al33  1  0.552827  0.472213  0.517193  1
  Al  Al34  1  1.052827  0.033817  0.474053  1
  Al  Al35  1  1.052827  0.642665  0.548231  1
  Al  Al36  1  1.052827  0.338234  0.511143  1
  Al  Al37  1  1.052827  0.057601  0.659285  1
  Al  Al38  1  1.052827  0.751950  0.622540  1
  Al  Al39  1  1.052827  0.446978  0.585400  1
  Al  Al40  1  0.552827  0.885704  0.628392  1
  Al  Al41  1  0.552827  0.580943  0.591423  1
  Al  Al42  1  0.552827  0.188297  0.665246  1
  Al  Al43  1  0.552827  0.080943  0.591423  1
  Al  Al44  1  0.552827  0.688297  0.665246  1
  Al  Al45  1  0.552827  0.385704  0.628392  1
  Al  Al46  1  1.052827  0.946978  0.585400  1
  Al  Al47  1  1.052827  0.557601  0.659285  1
  Al  Al48  1  1.052827  0.251950  0.622540  1
  Ni  Ni49  1  0.301624  0.091526  0.257029  1
  Ni  Ni50  1  0.303336  0.700348  0.332010  1
  Ni  Ni51  1  0.303501  0.396323  0.294973  1
  Ni  Ni52  1  0.552827  0.315914  0.325388  1
  Ni  Ni53  1  0.552827  0.011666  0.288185  1
  Ni  Ni54  1  0.552827  0.707540  0.250675  1
  Ni  Ni55  1  0.302645  0.065609  0.325394  1
  Ni  Ni56  1  0.302853  0.760953  0.288655  1
  Ni  Ni57  1  0.302941  0.457328  0.250691  1
  Ni  Ni58  1  0.802800  0.260953  0.288655  1
  Ni  Ni59  1  0.802713  0.957328  0.250691  1
  Ni  Ni60  1  0.803009  0.565609  0.325394  1
  Ni  Ni61  1  1.052827  0.145560  0.295057  1
  Ni  Ni62  1  1.052827  0.842368  0.258065  1
  Ni  Ni63  1  1.052827  0.450410  0.332098  1
  Ni  Ni64  1  0.802318  0.200348  0.332010  1
  Ni  Ni65  1  0.802153  0.896323  0.294973  1
  Ni  Ni66  1  0.804030  0.591526  0.257029  1
  Ni  Ni67  1  0.803009  0.065609  0.325394  1
  Ni  Ni68  1  0.802800  0.760953  0.288655  1
  Ni  Ni69  1  0.802713  0.457328  0.250691  1
  Ni  Ni70  1  1.052827  0.342368  0.258065  1
  Ni  Ni71  1  1.052827  0.950410  0.332098  1
  Ni  Ni72  1  1.052827  0.645560  0.295057  1
  Ni  Ni73  1  0.804030  0.091526  0.257029  1
  Ni  Ni74  1  0.802318  0.700348  0.332010  1
  Ni  Ni75  1  0.802153  0.396323  0.294973  1
  Ni  Ni76  1  0.303336  0.200348  0.332010  1
  Ni  Ni77  1  0.303501  0.896323  0.294973  1
  Ni  Ni78  1  0.301624  0.591526  0.257029  1
  Ni  Ni79  1  0.552827  0.207540  0.250675  1
  Ni  Ni80  1  0.552827  0.815914  0.325388  1
  Ni  Ni81  1  0.552827  0.511666  0.288185  1
  Ni  Ni82  1  0.302853  0.260953  0.288655  1
  Ni  Ni83  1  0.302941  0.957328  0.250691  1
  Ni  Ni84  1  0.302645  0.565609  0.325394  1
  Ni  Ni85  1  0.303236  0.004889  0.369078  1
  Ni  Ni86  1  0.303152  0.613756  0.443265  1
  Ni  Ni87  1  0.303132  0.309317  0.406166  1
  Ni  Ni88  1  0.552827  0.229065  0.436621  1
  Ni  Ni89  1  0.552827  0.924639  0.399542  1
  Ni  Ni90  1  0.552827  0.620159  0.362437  1
  Ni  Ni91  1  0.302484  0.978999  0.436698  1
  Ni  Ni92  1  0.302455  0.674559  0.399590  1
  Ni  Ni93  1  0.302523  0.370175  0.362507  1
  Ni  Ni94  1  0.803199  0.174559  0.399590  1
  Ni  Ni95  1  0.803131  0.870175  0.362507  1
  Ni  Ni96  1  0.803170  0.478999  0.436698  1
  Ni  Ni97  1  1.052827  0.059252  0.406234  1
  Ni  Ni98  1  1.052827  0.754839  0.369124  1
  Ni  Ni99  1  1.052827  0.363670  0.443330  1
  Ni  Ni100  1  0.802502  0.113756  0.443265  1
  Ni  Ni101  1  0.802522  0.809317  0.406166  1
  Ni  Ni102  1  0.802418  0.504889  0.369078  1
  Ni  Ni103  1  0.803170  0.978999  0.436698  1
  Ni  Ni104  1  0.803199  0.674559  0.399590  1
  Ni  Ni105  1  0.803131  0.370175  0.362507  1
  Ni  Ni106  1  1.052827  0.254839  0.369124  1
  Ni  Ni107  1  1.052827  0.863670  0.443330  1
  Ni  Ni108  1  1.052827  0.559252  0.406234  1
  Ni  Ni109  1  0.802418  0.004889  0.369078  1
  Ni  Ni110  1  0.802502  0.613756  0.443265  1
  Ni  Ni111  1  0.802522  0.309317  0.406166  1
  Ni  Ni112  1  0.303152  0.113756  0.443265  1
  Ni  Ni113  1  0.303132  0.809317  0.406166  1
  Ni  Ni114  1  0.303236  0.504889  0.369078  1
  Ni  Ni115  1  0.552827  0.120159  0.362437  1
  Ni  Ni116  1  0.552827  0.729065  0.436621  1
  Ni  Ni117  1  0.552827  0.424639  0.399542  1
  Ni  Ni118  1  0.302455  0.174559  0.399590  1
  Ni  Ni119  1  0.302523  0.870175  0.362507  1
  Ni  Ni120  1  0.302484  0.478999  0.436698  1
  Ni  Ni121  1  0.303170  0.918173  0.480357  1
  Ni  Ni122  1  0.303131  0.526997  0.554547  1
  Ni  Ni123  1  0.303199  0.222613  0.517465  1
  Ni  Ni124  1  0.552827  0.142334  0.547931  1
  Ni  Ni125  1  0.552827  0.837920  0.510820  1
  Ni  Ni126  1  0.552827  0.533502  0.473724  1
  Ni  Ni127  1  0.302418  0.892283  0.547976  1
  Ni  Ni128  1  0.302522  0.587855  0.510889  1
  Ni  Ni129  1  0.302502  0.283416  0.473790  1
  Ni  Ni130  1  0.803132  0.087855  0.510889  1
  Ni  Ni131  1  0.803152  0.783416  0.473790  1
  Ni  Ni132  1  0.803236  0.392283  0.547976  1
  Ni  Ni133  1  1.052827  0.972533  0.517512  1
  Ni  Ni134  1  1.052827  0.668108  0.480434  1
  Ni  Ni135  1  1.052827  0.277013  0.554617  1
  Ni  Ni136  1  0.802523  0.026997  0.554547  1
  Ni  Ni137  1  0.802455  0.722613  0.517465  1
  Ni  Ni138  1  0.802484  0.418173  0.480357  1
  Ni  Ni139  1  0.803236  0.892283  0.547976  1
  Ni  Ni140  1  0.803132  0.587855  0.510889  1
  Ni  Ni141  1  0.803152  0.283416  0.473790  1
  Ni  Ni142  1  1.052827  0.168108  0.480434  1
  Ni  Ni143  1  1.052827  0.777013  0.554617  1
  Ni  Ni144  1  1.052827  0.472533  0.517512  1
  Ni  Ni145  1  0.802484  0.918173  0.480357  1
  Ni  Ni146  1  0.802523  0.526997  0.554547  1
  Ni  Ni147  1  0.802455  0.222613  0.517465  1
  Ni  Ni148  1  0.303131  0.026997  0.554547  1
  Ni  Ni149  1  0.303199  0.722613  0.517465  1
  Ni  Ni150  1  0.303170  0.418173  0.480357  1
  Ni  Ni151  1  0.552827  0.033502  0.473724  1
  Ni  Ni152  1  0.552827  0.642334  0.547931  1
  Ni  Ni153  1  0.552827  0.337920  0.510820  1
  Ni  Ni154  1  0.302522  0.087855  0.510889  1
  Ni  Ni155  1  0.302502  0.783416  0.473790  1
  Ni  Ni156  1  0.302418  0.392283  0.547976  1
  Ni  Ni157  1  0.303009  0.831563  0.591661  1
  Ni  Ni158  1  0.302713  0.439844  0.666363  1
  Ni  Ni159  1  0.302800  0.136219  0.628400  1
  Ni  Ni160  1  0.552827  0.054804  0.658990  1
  Ni  Ni161  1  0.552827  0.751612  0.621998  1
  Ni  Ni162  1  0.552827  0.446762  0.584956  1
  Ni  Ni163  1  0.304030  0.805647  0.660025  1
  Ni  Ni164  1  0.302153  0.500849  0.622081  1
  Ni  Ni165  1  0.302318  0.196824  0.585045  1
  Ni  Ni166  1  0.803501  0.000849  0.622081  1
  Ni  Ni167  1  0.803336  0.696824  0.585045  1
  Ni  Ni168  1  0.801624  0.305647  0.660025  1
  Ni  Ni169  1  1.052827  0.885506  0.628869  1
  Ni  Ni170  1  1.052827  0.581258  0.591667  1
  Ni  Ni171  1  1.052827  0.189632  0.666379  1
  Ni  Ni172  1  0.802941  0.939844  0.666363  1
  Ni  Ni173  1  0.802853  0.636219  0.628400  1
  Ni  Ni174  1  0.802645  0.331563  0.591661  1
  Ni  Ni175  1  0.801624  0.805647  0.660025  1
  Ni  Ni176  1  0.803501  0.500849  0.622081  1
  Ni  Ni177  1  0.803336  0.196824  0.585045  1
  Ni  Ni178  1  1.052827  0.081258  0.591667  1
  Ni  Ni179  1  1.052827  0.689632  0.666379  1
  Ni  Ni180  1  1.052827  0.385506  0.628869  1
  Ni  Ni181  1  0.802645  0.831563  0.591661  1
  Ni  Ni182  1  0.802941  0.439844  0.666363  1
  Ni  Ni183  1  0.802853  0.136219  0.628400  1
  Ni  Ni184  1  0.302713  0.939844  0.666363  1
  Ni  Ni185  1  0.302800  0.636219  0.628400  1
  Ni  Ni186  1  0.303009  0.331563  0.591661  1
  Ni  Ni187  1  0.552827  0.946762  0.584956  1
  Ni  Ni188  1  0.552827  0.554804  0.658990  1
  Ni  Ni189  1  0.552827  0.251612  0.621998  1
  Ni  Ni190  1  0.302153  0.000849  0.622081  1
  Ni  Ni191  1  0.302318  0.696824  0.585045  1
  Ni  Ni192  1  0.304030  0.305647  0.660025  1
