# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99138528
_cell_length_b   7.85412832
_cell_length_c   47.23260404
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al18 Ni54'
_cell_volume   1756.6378277
_cell_formula_units_Z   18
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  0.493600  0.607171  0.293576  1
  Al  Al2  1  0.713953  0.048416  0.319087  1
  Al  Al3  1  0.934996  0.491058  0.341822  1
  Al  Al4  1  0.157558  0.936639  0.367612  1
  Al  Al5  1  0.379167  0.380352  0.392419  1
  Al  Al6  1  0.600504  0.823560  0.417393  1
  Al  Al7  1  0.822596  0.268143  0.442494  1
  Al  Al8  1  0.044214  0.711838  0.467397  1
  Al  Al9  1  0.265950  0.155766  0.492450  1
  Al  Al10  1  0.487663  0.599634  0.517424  1
  Al  Al11  1  0.709480  0.043705  0.542479  1
  Al  Al12  1  0.931090  0.487398  0.567466  1
  Al  Al13  1  0.152837  0.931326  0.592310  1
  Al  Al14  1  0.375119  0.376321  0.617654  1
  Al  Al15  1  0.595497  0.817652  0.642315  1
  Al  Al16  1  0.818315  0.263740  0.667277  1
  Al  Al17  1  0.041578  0.710766  0.692254  1
  Al  Al18  1  0.257360  0.142355  0.715553  1
  Ni  Ni19  1  0.993497  0.607042  0.291433  1
  Ni  Ni20  1  0.214377  0.049309  0.318042  1
  Ni  Ni21  1  0.099051  0.320801  0.303211  1
  Ni  Ni22  1  0.885052  0.893553  0.280500  1
  Ni  Ni23  1  0.601409  0.320759  0.303215  1
  Ni  Ni24  1  0.388091  0.893515  0.280499  1
  Ni  Ni25  1  0.434355  0.489793  0.342020  1
  Ni  Ni26  1  0.657264  0.936055  0.367800  1
  Ni  Ni27  1  0.547226  0.216092  0.355060  1
  Ni  Ni28  1  0.323360  0.770245  0.330188  1
  Ni  Ni29  1  0.047637  0.216110  0.355059  1
  Ni  Ni30  1  0.826167  0.770230  0.330193  1
  Ni  Ni31  1  0.879198  0.380414  0.392422  1
  Ni  Ni32  1  0.100606  0.823774  0.417319  1
  Ni  Ni33  1  0.990267  0.102624  0.405039  1
  Ni  Ni34  1  0.767654  0.656822  0.379742  1
  Ni  Ni35  1  0.490088  0.102618  0.405038  1
  Ni  Ni36  1  0.267306  0.656837  0.379738  1
  Ni  Ni37  1  0.322591  0.268131  0.442493  1
  Ni  Ni38  1  0.544201  0.711811  0.467421  1
  Ni  Ni39  1  0.433255  0.989762  0.454923  1
  Ni  Ni40  1  0.211598  0.545962  0.429904  1
  Ni  Ni41  1  0.933305  0.989764  0.454923  1
  Ni  Ni42  1  0.711636  0.545957  0.429905  1
  Ni  Ni43  1  0.765934  0.155734  0.492451  1
  Ni  Ni44  1  0.987672  0.599653  0.517427  1
  Ni  Ni45  1  0.876832  0.877732  0.504933  1
  Ni  Ni46  1  0.655144  0.433888  0.479952  1
  Ni  Ni47  1  0.376821  0.877732  0.504933  1
  Ni  Ni48  1  0.155113  0.433890  0.479952  1
  Ni  Ni49  1  0.209507  0.043758  0.542458  1
  Ni  Ni50  1  0.431081  0.487382  0.567435  1
  Ni  Ni51  1  0.320229  0.765375  0.554901  1
  Ni  Ni52  1  0.098522  0.321648  0.529958  1
  Ni  Ni53  1  0.820164  0.765374  0.554901  1
  Ni  Ni54  1  0.598590  0.321647  0.529958  1
  Ni  Ni55  1  0.652759  0.931166  0.592406  1
  Ni  Ni56  1  0.875047  0.376162  0.617695  1
  Ni  Ni57  1  0.763255  0.652770  0.604896  1
  Ni  Ni58  1  0.542305  0.209936  0.580030  1
  Ni  Ni59  1  0.263598  0.652776  0.604896  1
  Ni  Ni60  1  0.042221  0.209938  0.580029  1
  Ni  Ni61  1  0.095902  0.818481  0.641933  1
  Ni  Ni62  1  0.319046  0.265196  0.667149  1
  Ni  Ni63  1  0.208594  0.542848  0.655426  1
  Ni  Ni64  1  0.985252  0.097170  0.629846  1
  Ni  Ni65  1  0.707401  0.542822  0.655427  1
  Ni  Ni66  1  0.485577  0.097159  0.629850  1
  Ni  Ni67  1  0.541534  0.710628  0.694120  1
  Ni  Ni68  1  0.757984  0.143529  0.717427  1
  Ni  Ni69  1  0.651565  0.428478  0.705831  1
  Ni  Ni70  1  0.429547  0.983442  0.679310  1
  Ni  Ni71  1  0.149155  0.428522  0.705827  1
  Ni  Ni72  1  0.926549  0.983466  0.679306  1
