# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35219268
_cell_length_b   12.94233933
_cell_length_c   48.10902342
_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   2087.22033014
_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  0.526994  0.325599  0.327759  1
  Al  Al2  1  0.526994  0.093966  0.286504  1
  Al  Al3  1  0.526994  0.709978  0.307978  1
  Al  Al4  1  0.526994  0.172272  0.389988  1
  Al  Al5  1  0.526994  0.941171  0.348082  1
  Al  Al6  1  0.526994  0.556843  0.368986  1
  Al  Al7  1  0.526994  0.017994  0.452401  1
  Al  Al8  1  0.526994  0.787479  0.410729  1
  Al  Al9  1  0.526994  0.402796  0.431555  1
  Al  Al10  1  0.526994  0.863846  0.514891  1
  Al  Al11  1  0.526994  0.633267  0.473217  1
  Al  Al12  1  0.526994  0.248589  0.494080  1
  Al  Al13  1  0.526994  0.709628  0.577349  1
  Al  Al14  1  0.526994  0.479114  0.535735  1
  Al  Al15  1  0.526994  0.094367  0.556556  1
  Al  Al16  1  0.526994  0.555663  0.639895  1
  Al  Al17  1  0.526994  0.324942  0.598288  1
  Al  Al18  1  0.526994  0.940294  0.619178  1
  Al  Al19  1  0.526994  0.403967  0.701279  1
  Al  Al20  1  0.526994  0.171734  0.660059  1
  Al  Al21  1  0.526994  0.786003  0.680617  1
  Ni  Ni22  1  0.526994  0.518167  0.316827  1
  Ni  Ni23  1  0.526994  0.285607  0.274923  1
  Ni  Ni24  1  0.526994  0.902674  0.294740  1
  Ni  Ni25  1  1.026994  0.402891  0.295437  1
  Ni  Ni26  1  1.026994  0.017898  0.317223  1
  Ni  Ni27  1  1.026994  0.781996  0.275396  1
  Ni  Ni28  1  1.026994  0.593485  0.285014  1
  Ni  Ni29  1  1.026994  0.210921  0.306804  1
  Ni  Ni30  1  1.026994  0.826994  0.327158  1
  Ni  Ni31  1  0.526994  0.364709  0.379494  1
  Ni  Ni32  1  0.526994  0.134053  0.338282  1
  Ni  Ni33  1  0.526994  0.749494  0.358757  1
  Ni  Ni34  1  1.026994  0.249229  0.358779  1
  Ni  Ni35  1  1.026994  0.864572  0.379434  1
  Ni  Ni36  1  1.026994  0.633286  0.338010  1
  Ni  Ni37  1  1.026994  0.441194  0.348031  1
  Ni  Ni38  1  1.026994  0.056566  0.369148  1
  Ni  Ni39  1  1.026994  0.672160  0.389947  1
  Ni  Ni40  1  0.526994  0.210404  0.442019  1
  Ni  Ni41  1  0.526994  0.979726  0.400298  1
  Ni  Ni42  1  0.526994  0.595044  0.421128  1
  Ni  Ni43  1  1.026994  0.095075  0.421175  1
  Ni  Ni44  1  1.026994  0.710362  0.441982  1
  Ni  Ni45  1  1.026994  0.479874  0.400235  1
  Ni  Ni46  1  1.026994  0.287566  0.410783  1
  Ni  Ni47  1  1.026994  0.902718  0.431551  1
  Ni  Ni48  1  1.026994  0.517999  0.452374  1
  Ni  Ni49  1  0.526994  0.056194  0.504482  1
  Ni  Ni50  1  0.526994  0.825650  0.462809  1
  Ni  Ni51  1  0.526994  0.440943  0.483646  1
  Ni  Ni52  1  1.026994  0.940921  0.483644  1
  Ni  Ni53  1  1.026994  0.556192  0.504467  1
  Ni  Ni54  1  1.026994  0.325691  0.462835  1
  Ni  Ni55  1  1.026994  0.133292  0.473245  1
  Ni  Ni56  1  1.026994  0.748558  0.494053  1
  Ni  Ni57  1  1.026994  0.363866  0.514912  1
  Ni  Ni58  1  0.526994  0.902083  0.566987  1
  Ni  Ni59  1  0.526994  0.671462  0.525293  1
  Ni  Ni60  1  0.526994  0.286791  0.546159  1
  Ni  Ni61  1  1.026994  0.786767  0.546126  1
  Ni  Ni62  1  1.026994  0.402012  0.567013  1
  Ni  Ni63  1  1.026994  0.171487  0.525312  1
  Ni  Ni64  1  1.026994  0.979118  0.535734  1
  Ni  Ni65  1  1.026994  0.594354  0.556548  1
  Ni  Ni66  1  1.026994  0.209651  0.577358  1
  Ni  Ni67  1  0.526994  0.747986  0.629182  1
  Ni  Ni68  1  0.526994  0.517301  0.587822  1
  Ni  Ni69  1  0.526994  0.132447  0.608584  1
  Ni  Ni70  1  1.026994  0.632538  0.608624  1
  Ni  Ni71  1  1.026994  0.248194  0.629322  1
  Ni  Ni72  1  1.026994  0.017255  0.587839  1
  Ni  Ni73  1  1.026994  0.825121  0.598169  1
  Ni  Ni74  1  1.026994  0.440422  0.619098  1
  Ni  Ni75  1  1.026994  0.055606  0.639929  1
  Ni  Ni76  1  0.526994  0.597970  0.693538  1
  Ni  Ni77  1  0.526994  0.362746  0.650225  1
  Ni  Ni78  1  0.526994  0.980498  0.671217  1
  Ni  Ni79  1  1.026994  0.480931  0.670916  1
  Ni  Ni80  1  1.026994  0.095883  0.692863  1
  Ni  Ni81  1  1.026994  0.863742  0.650229  1
  Ni  Ni82  1  1.026994  0.670513  0.660639  1
  Ni  Ni83  1  1.026994  0.284494  0.682307  1
  Ni  Ni84  1  1.026994  0.902736  0.702376  1
