# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01283609
_cell_length_b   18.18066735
_cell_length_c   51.60281517
_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   4702.91056907
_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  0.552829  0.209040  0.251788  1
  Al  Al2  1  0.552829  0.816370  0.325618  1
  Al  Al3  1  0.552829  0.511619  0.288645  1
  Al  Al4  1  1.052829  0.339739  0.257754  1
  Al  Al5  1  1.052829  0.950338  0.331644  1
  Al  Al6  1  1.052829  0.645378  0.294501  1
  Al  Al7  1  1.052829  0.145378  0.294501  1
  Al  Al8  1  1.052829  0.839739  0.257754  1
  Al  Al9  1  1.052829  0.450338  0.331644  1
  Al  Al10  1  0.552829  0.316370  0.325618  1
  Al  Al11  1  0.552829  0.011619  0.288645  1
  Al  Al12  1  0.552829  0.709040  0.251788  1
  Al  Al13  1  0.552829  0.120594  0.362731  1
  Al  Al14  1  0.552829  0.729481  0.436951  1
  Al  Al15  1  0.552829  0.425076  0.399855  1
  Al  Al16  1  1.052829  0.254638  0.368816  1
  Al  Al17  1  1.052829  0.863463  0.443001  1
  Al  Al18  1  1.052829  0.559059  0.405907  1
  Al  Al19  1  1.052829  0.059059  0.405907  1
  Al  Al20  1  1.052829  0.754638  0.368816  1
  Al  Al21  1  1.052829  0.363463  0.443001  1
  Al  Al22  1  0.552829  0.229481  0.436951  1
  Al  Al23  1  0.552829  0.925076  0.399855  1
  Al  Al24  1  0.552829  0.620594  0.362731  1
  Al  Al25  1  0.552829  0.033910  0.474053  1
  Al  Al26  1  0.552829  0.642734  0.548238  1
  Al  Al27  1  0.552829  0.338314  0.511147  1
  Al  Al28  1  1.052829  0.167892  0.480102  1
  Al  Al29  1  1.052829  0.776779  0.554323  1
  Al  Al30  1  1.052829  0.472297  0.517199  1
  Al  Al31  1  1.052829  0.972297  0.517199  1
  Al  Al32  1  1.052829  0.667892  0.480102  1
  Al  Al33  1  1.052829  0.276779  0.554323  1
  Al  Al34  1  0.552829  0.142734  0.548238  1
  Al  Al35  1  0.552829  0.838314  0.511147  1
  Al  Al36  1  0.552829  0.533910  0.474053  1
  Al  Al37  1  0.552829  0.947035  0.585409  1
  Al  Al38  1  0.552829  0.557633  0.659300  1
  Al  Al39  1  0.552829  0.251994  0.622553  1
  Al  Al40  1  1.052829  0.081003  0.591436  1
  Al  Al41  1  1.052829  0.688332  0.665266  1
  Al  Al42  1  1.052829  0.385753  0.628409  1
  Al  Al43  1  1.052829  0.885753  0.628409  1
  Al  Al44  1  1.052829  0.581003  0.591436  1
  Al  Al45  1  1.052829  0.188332  0.665266  1
  Al  Al46  1  0.552829  0.057633  0.659300  1
  Al  Al47  1  0.552829  0.751994  0.622553  1
  Al  Al48  1  0.552829  0.447035  0.585409  1
  Ni  Ni49  1  0.801625  0.091691  0.257013  1
  Ni  Ni50  1  0.803337  0.700492  0.331999  1
  Ni  Ni51  1  0.803502  0.396478  0.294960  1
  Ni  Ni52  1  1.052829  0.207707  0.250653  1
  Ni  Ni53  1  1.052829  0.816058  0.325375  1
  Ni  Ni54  1  1.052829  0.511819  0.288168  1
  Ni  Ni55  1  0.304033  0.091691  0.257013  1
  Ni  Ni56  1  0.302322  0.700492  0.331999  1
  Ni  Ni57  1  0.302156  0.396478  0.294960  1
  Ni  Ni58  1  0.302801  0.261106  0.288638  1
  Ni  Ni59  1  0.302714  0.957493  0.250670  1
  Ni  Ni60  1  0.303010  0.565750  0.325380  1
  Ni  Ni61  1  0.552829  0.342533  0.258049  1
  Ni  Ni62  1  0.552829  0.950551  0.332088  1
  Ni  Ni63  1  0.552829  0.645713  0.295042  1
  Ni  Ni64  1  0.802857  0.261106  0.288638  1
  Ni  Ni65  1  0.802945  0.957493  0.250670  1
  Ni  Ni66  1  0.802649  0.565750  0.325380  1
  Ni  Ni67  1  0.303010  0.065750  0.325380  1
  Ni  Ni68  1  0.302801  0.761106  0.288638  1
  Ni  Ni69  1  0.302714  0.457493  0.250670  1
  Ni  Ni70  1  0.552829  0.145713  0.295042  1
  Ni  Ni71  1  0.552829  0.842533  0.258049  1
  Ni  Ni72  1  0.552829  0.450551  0.332088  1
  Ni  Ni73  1  0.802649  0.065750  0.325380  1
  Ni  Ni74  1  0.802857  0.761106  0.288638  1
  Ni  Ni75  1  0.802945  0.457493  0.250670  1
  Ni  Ni76  1  0.803337  0.200492  0.331999  1
  Ni  Ni77  1  0.803502  0.896478  0.294960  1
  Ni  Ni78  1  0.801625  0.591691  0.257013  1
  Ni  Ni79  1  1.052829  0.316058  0.325375  1
  Ni  Ni80  1  1.052829  0.011819  0.288168  1
  Ni  Ni81  1  1.052829  0.707707  0.250653  1
  Ni  Ni82  1  0.302322  0.200492  0.331999  1
  Ni  Ni83  1  0.302156  0.896478  0.294960  1
  Ni  Ni84  1  0.304033  0.591691  0.257013  1
  Ni  Ni85  1  0.803237  0.005021  0.369071  1
  Ni  Ni86  1  0.803154  0.613864  0.443264  1
  Ni  Ni87  1  0.803134  0.309436  0.406162  1
  Ni  Ni88  1  1.052829  0.120291  0.362427  1
  Ni  Ni89  1  1.052829  0.729172  0.436617  1
  Ni  Ni90  1  1.052829  0.424759  0.399536  1
  Ni  Ni91  1  0.302421  0.005021  0.369071  1
  Ni  Ni92  1  0.302505  0.613864  0.443264  1
  Ni  Ni93  1  0.302525  0.309436  0.406162  1
  Ni  Ni94  1  0.303200  0.174676  0.399583  1
  Ni  Ni95  1  0.303133  0.870304  0.362498  1
  Ni  Ni96  1  0.303171  0.479104  0.436695  1
  Ni  Ni97  1  0.552829  0.254967  0.369116  1
  Ni  Ni98  1  0.552829  0.863774  0.443330  1
  Ni  Ni99  1  0.552829  0.559368  0.406230  1
  Ni  Ni100  1  0.802458  0.174676  0.399583  1
  Ni  Ni101  1  0.802526  0.870304  0.362498  1
  Ni  Ni102  1  0.802487  0.479104  0.436695  1
  Ni  Ni103  1  0.303171  0.979104  0.436695  1
  Ni  Ni104  1  0.303200  0.674676  0.399583  1
  Ni  Ni105  1  0.303133  0.370304  0.362498  1
  Ni  Ni106  1  0.552829  0.059368  0.406230  1
  Ni  Ni107  1  0.552829  0.754967  0.369116  1
  Ni  Ni108  1  0.552829  0.363774  0.443330  1
  Ni  Ni109  1  0.802487  0.979104  0.436695  1
  Ni  Ni110  1  0.802458  0.674676  0.399583  1
  Ni  Ni111  1  0.802526  0.370304  0.362498  1
  Ni  Ni112  1  0.803154  0.113864  0.443264  1
  Ni  Ni113  1  0.803134  0.809436  0.406162  1
  Ni  Ni114  1  0.803237  0.505021  0.369071  1
  Ni  Ni115  1  1.052829  0.229172  0.436617  1
  Ni  Ni116  1  1.052829  0.924759  0.399536  1
  Ni  Ni117  1  1.052829  0.620291  0.362427  1
  Ni  Ni118  1  0.302505  0.113864  0.443264  1
  Ni  Ni119  1  0.302525  0.809436  0.406162  1
  Ni  Ni120  1  0.302421  0.505021  0.369071  1
  Ni  Ni121  1  0.803171  0.918268  0.480359  1
  Ni  Ni122  1  0.803133  0.527069  0.554556  1
  Ni  Ni123  1  0.803200  0.222697  0.517471  1
  Ni  Ni124  1  1.052829  0.033598  0.473724  1
  Ni  Ni125  1  1.052829  0.642406  0.547938  1
  Ni  Ni126  1  1.052829  0.338004  0.510824  1
  Ni  Ni127  1  0.302487  0.918268  0.480359  1
  Ni  Ni128  1  0.302526  0.527069  0.554556  1
  Ni  Ni129  1  0.302458  0.222697  0.517471  1
  Ni  Ni130  1  0.303134  0.087936  0.510892  1
  Ni  Ni131  1  0.303154  0.783509  0.473790  1
  Ni  Ni132  1  0.303237  0.392352  0.547983  1
  Ni  Ni133  1  0.552829  0.168200  0.480437  1
  Ni  Ni134  1  0.552829  0.777082  0.554627  1
  Ni  Ni135  1  0.552829  0.472613  0.517518  1
  Ni  Ni136  1  0.802525  0.087936  0.510892  1
  Ni  Ni137  1  0.802505  0.783509  0.473790  1
  Ni  Ni138  1  0.802421  0.392352  0.547983  1
  Ni  Ni139  1  0.303237  0.892352  0.547983  1
  Ni  Ni140  1  0.303134  0.587936  0.510892  1
  Ni  Ni141  1  0.303154  0.283509  0.473790  1
  Ni  Ni142  1  0.552829  0.972613  0.517518  1
  Ni  Ni143  1  0.552829  0.668200  0.480437  1
  Ni  Ni144  1  0.552829  0.277082  0.554627  1
  Ni  Ni145  1  0.802421  0.892352  0.547983  1
  Ni  Ni146  1  0.802525  0.587936  0.510892  1
  Ni  Ni147  1  0.802505  0.283509  0.473790  1
  Ni  Ni148  1  0.803133  0.027069  0.554556  1
  Ni  Ni149  1  0.803200  0.722697  0.517471  1
  Ni  Ni150  1  0.803171  0.418268  0.480359  1
  Ni  Ni151  1  1.052829  0.142406  0.547938  1
  Ni  Ni152  1  1.052829  0.838004  0.510824  1
  Ni  Ni153  1  1.052829  0.533598  0.473724  1
  Ni  Ni154  1  0.302526  0.027069  0.554556  1
  Ni  Ni155  1  0.302458  0.722697  0.517471  1
  Ni  Ni156  1  0.302487  0.418268  0.480359  1
  Ni  Ni157  1  0.803010  0.831623  0.591674  1
  Ni  Ni158  1  0.802714  0.439879  0.666384  1
  Ni  Ni159  1  0.802801  0.136267  0.628416  1
  Ni  Ni160  1  1.052829  0.946821  0.584966  1
  Ni  Ni161  1  1.052829  0.554840  0.659005  1
  Ni  Ni162  1  1.052829  0.251660  0.622012  1
  Ni  Ni163  1  0.302649  0.831623  0.591674  1
  Ni  Ni164  1  0.302945  0.439879  0.666384  1
  Ni  Ni165  1  0.302857  0.136267  0.628416  1
  Ni  Ni166  1  0.303502  0.000894  0.622094  1
  Ni  Ni167  1  0.303337  0.696881  0.585055  1
  Ni  Ni168  1  0.301625  0.305682  0.660041  1
  Ni  Ni169  1  0.552829  0.081315  0.591679  1
  Ni  Ni170  1  0.552829  0.689665  0.666401  1
  Ni  Ni171  1  0.552829  0.385553  0.628886  1
  Ni  Ni172  1  0.802156  0.000894  0.622094  1
  Ni  Ni173  1  0.802322  0.696881  0.585055  1
  Ni  Ni174  1  0.804033  0.305682  0.660041  1
  Ni  Ni175  1  0.301625  0.805682  0.660041  1
  Ni  Ni176  1  0.303502  0.500894  0.622094  1
  Ni  Ni177  1  0.303337  0.196881  0.585055  1
  Ni  Ni178  1  0.552829  0.885553  0.628886  1
  Ni  Ni179  1  0.552829  0.581315  0.591679  1
  Ni  Ni180  1  0.552829  0.189665  0.666401  1
  Ni  Ni181  1  0.804033  0.805682  0.660041  1
  Ni  Ni182  1  0.802156  0.500894  0.622094  1
  Ni  Ni183  1  0.802322  0.196881  0.585055  1
  Ni  Ni184  1  0.802714  0.939879  0.666384  1
  Ni  Ni185  1  0.802801  0.636267  0.628416  1
  Ni  Ni186  1  0.803010  0.331623  0.591674  1
  Ni  Ni187  1  1.052829  0.054840  0.659005  1
  Ni  Ni188  1  1.052829  0.751660  0.622012  1
  Ni  Ni189  1  1.052829  0.446821  0.584966  1
  Ni  Ni190  1  0.302945  0.939879  0.666384  1
  Ni  Ni191  1  0.302857  0.636267  0.628416  1
  Ni  Ni192  1  0.302649  0.331623  0.591674  1
