# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.87743341
_cell_length_b   7.87809428
_cell_length_c   46.23973390
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al28 Ni84'
_cell_volume   2811.62150989
_cell_formula_units_Z   28
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  0.984662  0.984788  0.289831  1
  Al  Al2  1  0.484662  0.484788  0.289831  1
  Al  Al3  1  0.397646  0.897827  0.319956  1
  Al  Al4  1  0.897646  0.397827  0.319956  1
  Al  Al5  1  0.815203  0.815385  0.350426  1
  Al  Al6  1  0.315203  0.315385  0.350426  1
  Al  Al7  1  0.231676  0.731868  0.381856  1
  Al  Al8  1  0.731676  0.231868  0.381856  1
  Al  Al9  1  0.648216  0.648424  0.413168  1
  Al  Al10  1  0.148216  0.148424  0.413168  1
  Al  Al11  1  0.064332  0.564551  0.444332  1
  Al  Al12  1  0.564332  0.064551  0.444332  1
  Al  Al13  1  0.480571  0.480803  0.475645  1
  Al  Al14  1  0.980571  0.980803  0.475645  1
  Al  Al15  1  0.896844  0.397089  0.506944  1
  Al  Al16  1  0.396844  0.897089  0.506944  1
  Al  Al17  1  0.313069  0.313326  0.538208  1
  Al  Al18  1  0.813069  0.813326  0.538208  1
  Al  Al19  1  0.729243  0.229513  0.569402  1
  Al  Al20  1  0.229243  0.729513  0.569402  1
  Al  Al21  1  0.145791  0.146074  0.600803  1
  Al  Al22  1  0.645791  0.646074  0.600803  1
  Al  Al23  1  0.561781  0.062071  0.632018  1
  Al  Al24  1  0.061781  0.562071  0.632018  1
  Al  Al25  1  0.980011  0.980322  0.662558  1
  Al  Al26  1  0.480011  0.480322  0.662558  1
  Al  Al27  1  0.395864  0.896185  0.693275  1
  Al  Al28  1  0.895864  0.396185  0.693275  1
  Ni  Ni29  1  0.688004  0.938945  0.302556  1
  Ni  Ni30  1  0.188004  0.438945  0.302556  1
  Ni  Ni31  1  0.106340  0.855607  0.335400  1
  Ni  Ni32  1  0.606340  0.355607  0.335400  1
  Ni  Ni33  1  0.938782  0.688169  0.302556  1
  Ni  Ni34  1  0.438782  0.188169  0.302556  1
  Ni  Ni35  1  0.355437  0.606508  0.335399  1
  Ni  Ni36  1  0.855437  0.106508  0.335399  1
  Ni  Ni37  1  0.649174  0.649356  0.319175  1
  Ni  Ni38  1  0.149174  0.149356  0.319175  1
  Ni  Ni39  1  0.235300  0.735427  0.288085  1
  Ni  Ni40  1  0.735300  0.235427  0.288085  1
  Ni  Ni41  1  0.523721  0.773431  0.366347  1
  Ni  Ni42  1  0.023721  0.273431  0.366347  1
  Ni  Ni43  1  0.940029  0.690110  0.397350  1
  Ni  Ni44  1  0.440029  0.190110  0.397350  1
  Ni  Ni45  1  0.773239  0.523915  0.366347  1
  Ni  Ni46  1  0.273239  0.023915  0.366347  1
  Ni  Ni47  1  0.189908  0.440229  0.397350  1
  Ni  Ni48  1  0.689908  0.940229  0.397350  1
  Ni  Ni49  1  0.481701  0.481894  0.381996  1
  Ni  Ni50  1  0.981701  0.981894  0.381996  1
  Ni  Ni51  1  0.064767  0.564950  0.350281  1
  Ni  Ni52  1  0.564767  0.064950  0.350281  1
  Ni  Ni53  1  0.356150  0.606459  0.428761  1
  Ni  Ni54  1  0.856150  0.106459  0.428761  1
  Ni  Ni55  1  0.772477  0.522701  0.460046  1
  Ni  Ni56  1  0.272477  0.022701  0.460046  1
  Ni  Ni57  1  0.606246  0.356363  0.428761  1
  Ni  Ni58  1  0.106246  0.856363  0.428761  1
  Ni  Ni59  1  0.022474  0.272703  0.460046  1
  Ni  Ni60  1  0.522474  0.772703  0.460046  1
  Ni  Ni61  1  0.314354  0.314574  0.444333  1
  Ni  Ni62  1  0.814354  0.814574  0.444333  1
  Ni  Ni63  1  0.898115  0.398323  0.413161  1
  Ni  Ni64  1  0.398115  0.898323  0.413161  1
  Ni  Ni65  1  0.188707  0.438946  0.491275  1
  Ni  Ni66  1  0.688707  0.938946  0.491275  1
  Ni  Ni67  1  0.604942  0.355199  0.522536  1
  Ni  Ni68  1  0.104942  0.855199  0.522536  1
  Ni  Ni69  1  0.438708  0.188946  0.491275  1
  Ni  Ni70  1  0.938708  0.688946  0.491275  1
  Ni  Ni71  1  0.854948  0.105193  0.522536  1
  Ni  Ni72  1  0.354948  0.605193  0.522536  1
  Ni  Ni73  1  0.146856  0.147100  0.506943  1
  Ni  Ni74  1  0.646856  0.647100  0.506943  1
  Ni  Ni75  1  0.730566  0.230798  0.475648  1
  Ni  Ni76  1  0.230566  0.730798  0.475648  1
  Ni  Ni77  1  0.021233  0.271428  0.553853  1
  Ni  Ni78  1  0.521233  0.771428  0.553853  1
  Ni  Ni79  1  0.437342  0.187755  0.585160  1
  Ni  Ni80  1  0.937342  0.687755  0.585160  1
  Ni  Ni81  1  0.271165  0.021497  0.553853  1
  Ni  Ni82  1  0.771165  0.521497  0.553853  1
  Ni  Ni83  1  0.687480  0.937616  0.585160  1
  Ni  Ni84  1  0.187480  0.437616  0.585160  1
  Ni  Ni85  1  0.979330  0.979600  0.569414  1
  Ni  Ni86  1  0.479330  0.479600  0.569414  1
  Ni  Ni87  1  0.563037  0.063294  0.538209  1
  Ni  Ni88  1  0.063037  0.563294  0.538209  1
  Ni  Ni89  1  0.853635  0.104255  0.616218  1
  Ni  Ni90  1  0.353635  0.604255  0.616218  1
  Ni  Ni91  1  0.269958  0.021445  0.647534  1
  Ni  Ni92  1  0.769958  0.521445  0.647534  1
  Ni  Ni93  1  0.103966  0.853924  0.616218  1
  Ni  Ni94  1  0.603966  0.353924  0.616218  1
  Ni  Ni95  1  0.521143  0.770262  0.647534  1
  Ni  Ni96  1  0.021143  0.270262  0.647534  1
  Ni  Ni97  1  0.812539  0.812829  0.632234  1
  Ni  Ni98  1  0.312539  0.312829  0.632234  1
  Ni  Ni99  1  0.395642  0.895925  0.600708  1
  Ni  Ni100  1  0.895642  0.395925  0.600708  1
  Ni  Ni101  1  0.688043  0.938245  0.679395  1
  Ni  Ni102  1  0.188043  0.438245  0.679395  1
  Ni  Ni103  1  0.102838  0.853335  0.710002  1
  Ni  Ni104  1  0.602838  0.353335  0.710002  1
  Ni  Ni105  1  0.937942  0.688341  0.679395  1
  Ni  Ni106  1  0.437942  0.188341  0.679395  1
  Ni  Ni107  1  0.352990  0.603187  0.710003  1
  Ni  Ni108  1  0.852990  0.103187  0.710003  1
  Ni  Ni109  1  0.646743  0.647064  0.695514  1
  Ni  Ni110  1  0.146743  0.147064  0.695514  1
  Ni  Ni111  1  0.228250  0.728562  0.662992  1
  Ni  Ni112  1  0.728250  0.228562  0.662992  1
