# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93594366
_cell_length_b   10.53211619
_cell_length_c   49.21889512
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.84475926
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al42 Ni28'
_cell_volume   2003.87222765
_cell_formula_units_Z   14
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  0.900111  0.788718  0.276260  1
  Al  Al2  1  0.115307  0.221102  0.312477  1
  Al  Al3  1  0.301213  0.592010  0.287133  1
  Al  Al4  1  0.522981  0.035827  0.323093  1
  Al  Al5  1  0.496602  0.979328  0.269036  1
  Al  Al6  1  0.714710  0.419330  0.302755  1
  Al  Al7  1  0.338392  0.666284  0.344518  1
  Al  Al8  1  0.564343  0.118311  0.379072  1
  Al  Al9  1  0.745799  0.481304  0.355571  1
  Al  Al10  1  0.967842  0.925092  0.389325  1
  Al  Al11  1  0.937347  0.864023  0.335229  1
  Al  Al12  1  0.160168  0.310197  0.368270  1
  Al  Al13  1  0.787159  0.563750  0.411885  1
  Al  Al14  1  0.009611  0.008483  0.445482  1
  Al  Al15  1  0.190917  0.371219  0.422263  1
  Al  Al16  1  0.413473  0.816153  0.455658  1
  Al  Al17  1  0.382735  0.754884  0.401342  1
  Al  Al18  1  0.605483  0.200350  0.435111  1
  Al  Al19  1  0.232364  0.453916  0.478562  1
  Al  Al20  1  0.454771  0.898558  0.512069  1
  Al  Al21  1  0.636300  0.261719  0.488928  1
  Al  Al22  1  0.858909  0.706782  0.522357  1
  Al  Al23  1  0.828226  0.645692  0.468274  1
  Al  Al24  1  0.050835  0.090755  0.501703  1
  Al  Al25  1  0.677524  0.343991  0.545149  1
  Al  Al26  1  0.899976  0.788724  0.578745  1
  Al  Al27  1  0.081652  0.152124  0.555520  1
  Al  Al28  1  0.304400  0.597590  0.589289  1
  Al  Al29  1  0.273662  0.536321  0.534973  1
  Al  Al30  1  0.496218  0.981255  0.568368  1
  Al  Al31  1  0.122792  0.234163  0.611559  1
  Al  Al32  1  0.348743  0.686190  0.646113  1
  Al  Al33  1  0.526968  0.042277  0.622361  1
  Al  Al34  1  0.749788  0.488451  0.655402  1
  Al  Al35  1  0.719293  0.427381  0.601306  1
  Al  Al36  1  0.941336  0.871170  0.635059  1
  Al  Al37  1  0.571828  0.131372  0.678153  1
  Al  Al38  1  0.787024  0.563756  0.714371  1
  Al  Al39  1  0.972425  0.933144  0.687876  1
  Al  Al40  1  0.190533  0.373146  0.721595  1
  Al  Al41  1  0.164154  0.316647  0.667538  1
  Al  Al42  1  0.385922  0.760464  0.703498  1
  Ni  Ni43  1  0.412136  0.813204  0.306559  1
  Ni  Ni44  1  0.184153  0.358383  0.273192  1
  Ni  Ni45  1  0.827707  0.645002  0.316922  1
  Ni  Ni46  1  0.605257  0.201494  0.284458  1
  Ni  Ni47  1  0.856914  0.703166  0.372325  1
  Ni  Ni48  1  0.634055  0.258146  0.339834  1
  Ni  Ni49  1  0.271306  0.532261  0.384636  1
  Ni  Ni50  1  0.048153  0.086183  0.352062  1
  Ni  Ni51  1  0.302444  0.594118  0.439203  1
  Ni  Ni52  1  0.079605  0.148607  0.406183  1
  Ni  Ni53  1  0.716854  0.423099  0.451227  1
  Ni  Ni54  1  0.493847  0.977147  0.418186  1
  Ni  Ni55  1  0.747801  0.484587  0.505907  1
  Ni  Ni56  1  0.524918  0.038904  0.472765  1
  Ni  Ni57  1  0.162217  0.313570  0.517866  1
  Ni  Ni58  1  0.939334  0.867887  0.484724  1
  Ni  Ni59  1  0.193288  0.375327  0.572444  1
  Ni  Ni60  1  0.970281  0.929374  0.539403  1
  Ni  Ni61  1  0.607530  0.203867  0.584448  1
  Ni  Ni62  1  0.384691  0.758356  0.551428  1
  Ni  Ni63  1  0.638982  0.266291  0.638569  1
  Ni  Ni64  1  0.415829  0.820213  0.605995  1
  Ni  Ni65  1  0.053081  0.094328  0.650797  1
  Ni  Ni66  1  0.830221  0.649308  0.618306  1
  Ni  Ni67  1  0.081878  0.150980  0.706172  1
  Ni  Ni68  1  0.859428  0.707472  0.673709  1
  Ni  Ni69  1  0.502982  0.994091  0.717439  1
  Ni  Ni70  1  0.274999  0.539270  0.684072  1
