# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01712687
_cell_length_b   7.93026536
_cell_length_c   47.65958207
_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   1798.93009635
_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  0.488178  0.595598  0.290137  1
  Al  Al2  1  0.715272  0.049804  0.317500  1
  Al  Al3  1  0.935456  0.490185  0.342991  1
  Al  Al4  1  0.157501  0.934292  0.367639  1
  Al  Al5  1  0.380144  0.379591  0.392528  1
  Al  Al6  1  0.602074  0.823465  0.417574  1
  Al  Al7  1  0.824069  0.267469  0.442722  1
  Al  Al8  1  0.046228  0.711799  0.467728  1
  Al  Al9  1  0.268318  0.155993  0.492757  1
  Al  Al10  1  0.490392  0.600156  0.517805  1
  Al  Al11  1  0.712565  0.044514  0.542826  1
  Al  Al12  1  0.934712  0.488824  0.567853  1
  Al  Al13  1  0.156387  0.932187  0.592914  1
  Al  Al14  1  0.379155  0.377736  0.618181  1
  Al  Al15  1  0.600749  0.820941  0.642802  1
  Al  Al16  1  0.823293  0.266041  0.666533  1
  Al  Al17  1  0.046656  0.712789  0.696159  1
  Al  Al18  1  0.265964  0.151384  0.719167  1
  Ni  Ni19  1  0.991905  0.603048  0.293851  1
  Ni  Ni20  1  0.213997  0.047254  0.317995  1
  Ni  Ni21  1  0.101824  0.321263  0.305063  1
  Ni  Ni22  1  0.885333  0.880758  0.282583  1
  Ni  Ni23  1  0.600192  0.321265  0.305064  1
  Ni  Ni24  1  0.376173  0.880762  0.282583  1
  Ni  Ni25  1  0.435612  0.490498  0.341759  1
  Ni  Ni26  1  0.658199  0.935687  0.367333  1
  Ni  Ni27  1  0.546961  0.214094  0.355190  1
  Ni  Ni28  1  0.325567  0.766107  0.330157  1
  Ni  Ni29  1  0.047853  0.214093  0.355190  1
  Ni  Ni30  1  0.821268  0.766107  0.330157  1
  Ni  Ni31  1  0.879925  0.379152  0.392802  1
  Ni  Ni32  1  0.101861  0.823037  0.417639  1
  Ni  Ni33  1  0.991000  0.101183  0.405117  1
  Ni  Ni34  1  0.767908  0.656731  0.380039  1
  Ni  Ni35  1  0.490873  0.101183  0.405117  1
  Ni  Ni36  1  0.269527  0.656731  0.380039  1
  Ni  Ni37  1  0.324132  0.267595  0.442644  1
  Ni  Ni38  1  0.546271  0.711886  0.467718  1
  Ni  Ni39  1  0.435119  0.989626  0.455189  1
  Ni  Ni40  1  0.213266  0.545536  0.430194  1
  Ni  Ni41  1  0.935170  0.989626  0.455189  1
  Ni  Ni42  1  0.712947  0.545536  0.430194  1
  Ni  Ni43  1  0.768319  0.155997  0.492769  1
  Ni  Ni44  1  0.990399  0.600169  0.517778  1
  Ni  Ni45  1  0.879371  0.878109  0.505280  1
  Ni  Ni46  1  0.657205  0.433879  0.480242  1
  Ni  Ni47  1  0.379373  0.878109  0.505280  1
  Ni  Ni48  1  0.157323  0.433879  0.480242  1
  Ni  Ni49  1  0.212490  0.044366  0.542857  1
  Ni  Ni50  1  0.434660  0.488719  0.567957  1
  Ni  Ni51  1  0.323514  0.766388  0.555338  1
  Ni  Ni52  1  0.101566  0.322351  0.530336  1
  Ni  Ni53  1  0.823481  0.766388  0.555338  1
  Ni  Ni54  1  0.601406  0.322351  0.530336  1
  Ni  Ni55  1  0.656659  0.932732  0.592785  1
  Ni  Ni56  1  0.879439  0.378302  0.617755  1
  Ni  Ni57  1  0.767961  0.655122  0.605530  1
  Ni  Ni58  1  0.545432  0.210865  0.580411  1
  Ni  Ni59  1  0.267741  0.655121  0.605530  1
  Ni  Ni60  1  0.046028  0.210865  0.580411  1
  Ni  Ni61  1  0.099729  0.818900  0.643479  1
  Ni  Ni62  1  0.322711  0.264876  0.667920  1
  Ni  Ni63  1  0.212188  0.545524  0.655988  1
  Ni  Ni64  1  0.990174  0.097700  0.630299  1
  Ni  Ni65  1  0.713890  0.545526  0.655988  1
  Ni  Ni66  1  0.488091  0.097700  0.630299  1
  Ni  Ni67  1  0.546040  0.711557  0.693036  1
  Ni  Ni68  1  0.767521  0.154503  0.714842  1
  Ni  Ni69  1  0.652739  0.428735  0.704195  1
  Ni  Ni70  1  0.432829  0.987754  0.680158  1
  Ni  Ni71  1  0.156510  0.428732  0.704195  1
  Ni  Ni72  1  0.935467  0.987754  0.680158  1
