# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.47087859
_cell_length_b   12.64556573
_cell_length_c   47.21773310
_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   'Al21 Ni63'
_cell_volume   2072.44407309
_cell_formula_units_Z   21
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  1.007873  0.531999  0.324558  1
  Al  Al2  1  1.007873  0.304377  0.284422  1
  Al  Al3  1  1.007873  0.919148  0.302988  1
  Al  Al4  1  1.007873  0.379314  0.386494  1
  Al  Al5  1  1.007873  0.149359  0.345886  1
  Al  Al6  1  1.007873  0.764505  0.365241  1
  Al  Al7  1  1.007873  0.222999  0.449892  1
  Al  Al8  1  1.007873  0.993496  0.407239  1
  Al  Al9  1  1.007873  0.608578  0.428771  1
  Al  Al10  1  1.007873  0.065817  0.512665  1
  Al  Al11  1  1.007873  0.837082  0.470582  1
  Al  Al12  1  1.007873  0.451839  0.491973  1
  Al  Al13  1  0.007873  0.908967  0.575668  1
  Al  Al14  1  1.007873  0.680260  0.533923  1
  Al  Al15  1  0.007873  0.294609  0.554706  1
  Al  Al16  1  0.007873  0.753849  0.638948  1
  Al  Al17  1  0.007873  0.524363  0.597722  1
  Al  Al18  1  0.007873  0.138966  0.618393  1
  Al  Al19  1  0.007873  0.599159  0.701021  1
  Al  Al20  1  0.007873  0.369178  0.657539  1
  Al  Al21  1  0.007873  0.985568  0.678917  1
  Ni  Ni22  1  1.007873  0.339761  0.334779  1
  Ni  Ni23  1  1.007873  0.115451  0.296662  1
  Ni  Ni24  1  1.007873  0.725228  0.314328  1
  Ni  Ni25  1  0.507873  0.414490  0.306566  1
  Ni  Ni26  1  0.507873  0.034158  0.324326  1
  Ni  Ni27  1  0.507873  0.793049  0.287922  1
  Ni  Ni28  1  0.507873  0.614894  0.296596  1
  Ni  Ni29  1  0.507873  0.227199  0.314885  1
  Ni  Ni30  1  0.507873  0.843263  0.334539  1
  Ni  Ni31  1  1.007873  0.186652  0.397666  1
  Ni  Ni32  1  1.007873  0.956897  0.354364  1
  Ni  Ni33  1  1.007873  0.572161  0.376250  1
  Ni  Ni34  1  0.507873  0.263950  0.366189  1
  Ni  Ni35  1  0.507873  0.879033  0.386339  1
  Ni  Ni36  1  0.507873  0.649188  0.344933  1
  Ni  Ni37  1  0.507873  0.457154  0.355465  1
  Ni  Ni38  1  0.507873  0.070434  0.376090  1
  Ni  Ni39  1  0.507873  0.686909  0.397128  1
  Ni  Ni40  1  1.007873  0.029947  0.459982  1
  Ni  Ni41  1  1.007873  0.801161  0.417934  1
  Ni  Ni42  1  1.007873  0.415941  0.439317  1
  Ni  Ni43  1  0.507873  0.108280  0.428608  1
  Ni  Ni44  1  0.507873  0.722989  0.449620  1
  Ni  Ni45  1  0.507873  0.494119  0.407713  1
  Ni  Ni46  1  0.507873  0.301830  0.418417  1
  Ni  Ni47  1  0.507873  0.915547  0.438934  1
  Ni  Ni48  1  0.507873  0.530298  0.460399  1
  Ni  Ni49  1  1.007873  0.873090  0.523051  1
  Ni  Ni50  1  1.007873  0.644379  0.481380  1
  Ni  Ni51  1  1.007873  0.258760  0.502321  1
  Ni  Ni52  1  0.507873  0.951746  0.491466  1
  Ni  Ni53  1  0.507873  0.565572  0.513221  1
  Ni  Ni54  1  0.507873  0.337510  0.470915  1
  Ni  Ni55  1  0.507873  0.144369  0.481218  1
  Ni  Ni56  1  0.507873  0.758550  0.502187  1
  Ni  Ni57  1  0.507873  0.373150  0.523406  1
  Ni  Ni58  1  1.007873  0.716140  0.586542  1
  Ni  Ni59  1  1.007873  0.487699  0.544769  1
  Ni  Ni60  1  1.007873  0.101819  0.565413  1
  Ni  Ni61  1  0.507873  0.794748  0.554609  1
  Ni  Ni62  1  0.507873  0.409575  0.575995  1
  Ni  Ni63  1  0.507873  0.179943  0.533798  1
  Ni  Ni64  1  0.507873  0.987385  0.544170  1
  Ni  Ni65  1  0.507873  0.602147  0.565861  1
  Ni  Ni66  1  0.507873  0.215840  0.586290  1
  Ni  Ni67  1  0.007873  0.562523  0.650532  1
  Ni  Ni68  1  0.007873  0.330489  0.606679  1
  Ni  Ni69  1  0.007873  0.946343  0.627826  1
  Ni  Ni70  1  0.507873  0.638622  0.618833  1
  Ni  Ni71  1  0.507873  0.252957  0.638704  1
  Ni  Ni72  1  0.507873  0.024072  0.596806  1
  Ni  Ni73  1  0.507873  0.830343  0.606992  1
  Ni  Ni74  1  0.507873  0.447001  0.628283  1
  Ni  Ni75  1  0.507873  0.061989  0.648803  1
  Ni  Ni76  1  0.007873  0.403615  0.706005  1
  Ni  Ni77  1  0.007873  0.180037  0.670338  1
  Ni  Ni78  1  0.007873  0.792933  0.689017  1
  Ni  Ni79  1  0.507873  0.484395  0.679283  1
  Ni  Ni80  1  0.507873  0.102782  0.696554  1
  Ni  Ni81  1  0.507873  0.870302  0.658264  1
  Ni  Ni82  1  0.507873  0.678606  0.670720  1
  Ni  Ni83  1  0.507873  0.291112  0.688529  1
  Ni  Ni84  1  0.507873  0.900322  0.705931  1
