# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98919707
_cell_length_b   7.86287558
_cell_length_c   47.21107754
_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   1757.02212264
_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  0.884099  0.389127  0.282030  1
  Al  Al2  1  0.100197  0.821344  0.305362  1
  Al  Al3  1  0.323576  0.268452  0.330319  1
  Al  Al4  1  0.546496  0.714610  0.355267  1
  Al  Al5  1  0.767087  0.156195  0.379959  1
  Al  Al6  1  0.989466  0.601256  0.405287  1
  Al  Al7  1  0.211352  0.045335  0.430136  1
  Al  Al8  1  0.433108  0.489177  0.455127  1
  Al  Al9  1  0.655050  0.933368  0.480182  1
  Al  Al10  1  0.876896  0.377371  0.505159  1
  Al  Al11  1  0.098767  0.821432  0.530213  1
  Al  Al12  1  0.320530  0.265279  0.555126  1
  Al  Al13  1  0.542723  0.709945  0.580215  1
  Al  Al14  1  0.764242  0.153358  0.605201  1
  Al  Al15  1  0.985984  0.597189  0.630020  1
  Al  Al16  1  0.208626  0.042796  0.655769  1
  Al  Al17  1  0.429926  0.485785  0.678577  1
  Al  Al18  1  0.650450  0.927205  0.704030  1
  Ni  Ni19  1  0.383550  0.388081  0.280155  1
  Ni  Ni20  1  0.600259  0.821504  0.303502  1
  Ni  Ni21  1  0.215211  0.548588  0.318253  1
  Ni  Ni22  1  0.992495  0.103378  0.291776  1
  Ni  Ni23  1  0.712260  0.548605  0.318249  1
  Ni  Ni24  1  0.490062  0.103408  0.291773  1
  Ni  Ni25  1  0.822837  0.266979  0.330456  1
  Ni  Ni26  1  0.046093  0.713791  0.355654  1
  Ni  Ni27  1  0.656524  0.435238  0.367742  1
  Ni  Ni28  1  0.434592  0.989500  0.342190  1
  Ni  Ni29  1  0.156866  0.435230  0.367744  1
  Ni  Ni30  1  0.933409  0.989481  0.342190  1
  Ni  Ni31  1  0.267155  0.156342  0.379913  1
  Ni  Ni32  1  0.489551  0.601429  0.405189  1
  Ni  Ni33  1  0.100182  0.322761  0.417578  1
  Ni  Ni34  1  0.878624  0.879728  0.392700  1
  Ni  Ni35  1  0.600088  0.322763  0.417577  1
  Ni  Ni36  1  0.378969  0.879732  0.392700  1
  Ni  Ni37  1  0.711360  0.045348  0.430167  1
  Ni  Ni38  1  0.933079  0.489119  0.455149  1
  Ni  Ni39  1  0.544057  0.211290  0.467649  1
  Ni  Ni40  1  0.322342  0.767418  0.442700  1
  Ni  Ni41  1  0.044125  0.211289  0.467649  1
  Ni  Ni42  1  0.822280  0.767418  0.442700  1
  Ni  Ni43  1  0.155042  0.933350  0.480179  1
  Ni  Ni44  1  0.376912  0.377402  0.505159  1
  Ni  Ni45  1  0.987808  0.099323  0.517660  1
  Ni  Ni46  1  0.765961  0.655340  0.492674  1
  Ni  Ni47  1  0.487774  0.099324  0.517659  1
  Ni  Ni48  1  0.265951  0.655341  0.492674  1
  Ni  Ni49  1  0.598782  0.821463  0.530189  1
  Ni  Ni50  1  0.820533  0.265288  0.555124  1
  Ni  Ni51  1  0.431549  0.987522  0.567709  1
  Ni  Ni52  1  0.209734  0.543561  0.542688  1
  Ni  Ni53  1  0.931594  0.987519  0.567710  1
  Ni  Ni54  1  0.709784  0.543562  0.542688  1
  Ni  Ni55  1  0.042623  0.709738  0.580290  1
  Ni  Ni56  1  0.264205  0.153283  0.605202  1
  Ni  Ni57  1  0.876095  0.876833  0.617864  1
  Ni  Ni58  1  0.653249  0.431015  0.592586  1
  Ni  Ni59  1  0.375762  0.876843  0.617861  1
  Ni  Ni60  1  0.153064  0.431011  0.592586  1
  Ni  Ni61  1  0.486271  0.597761  0.629827  1
  Ni  Ni62  1  0.709295  0.044123  0.655570  1
  Ni  Ni63  1  0.317610  0.763809  0.667429  1
  Ni  Ni64  1  0.096026  0.317865  0.642578  1
  Ni  Ni65  1  0.820403  0.763798  0.667432  1
  Ni  Ni66  1  0.596425  0.317878  0.642577  1
  Ni  Ni67  1  0.929476  0.484852  0.679628  1
  Ni  Ni68  1  0.150540  0.927331  0.706175  1
  Ni  Ni69  1  0.756114  0.641300  0.717150  1
  Ni  Ni70  1  0.542406  0.213257  0.694377  1
  Ni  Ni71  1  0.259156  0.641273  0.717150  1
  Ni  Ni72  1  0.044773  0.213228  0.694380  1
