# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93593121
_cell_length_b   10.53214519
_cell_length_c   49.22157366
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.84475911
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al42 Ni28'
_cell_volume   2003.9804568
_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  0.900112  0.788717  0.276245  1
  Al  Al2  1  0.115308  0.221102  0.312460  1
  Al  Al3  1  0.301214  0.592009  0.287117  1
  Al  Al4  1  0.522982  0.035826  0.323075  1
  Al  Al5  1  0.496605  0.979327  0.269021  1
  Al  Al6  1  0.714711  0.419329  0.302738  1
  Al  Al7  1  0.338393  0.666283  0.344499  1
  Al  Al8  1  0.564344  0.118310  0.379051  1
  Al  Al9  1  0.745800  0.481303  0.355552  1
  Al  Al10  1  0.967843  0.925092  0.389304  1
  Al  Al11  1  0.937348  0.864022  0.335211  1
  Al  Al12  1  0.160168  0.310196  0.368250  1
  Al  Al13  1  0.787160  0.563749  0.411863  1
  Al  Al14  1  0.009612  0.008482  0.445458  1
  Al  Al15  1  0.190918  0.371218  0.422239  1
  Al  Al16  1  0.413474  0.816152  0.455633  1
  Al  Al17  1  0.382736  0.754883  0.401320  1
  Al  Al18  1  0.605484  0.200349  0.435087  1
  Al  Al19  1  0.232365  0.453915  0.478536  1
  Al  Al20  1  0.454772  0.898557  0.512041  1
  Al  Al21  1  0.636301  0.261718  0.488901  1
  Al  Al22  1  0.858910  0.706781  0.522328  1
  Al  Al23  1  0.828227  0.645691  0.468249  1
  Al  Al24  1  0.050836  0.090753  0.501676  1
  Al  Al25  1  0.677525  0.343989  0.545119  1
  Al  Al26  1  0.899977  0.788722  0.578714  1
  Al  Al27  1  0.081653  0.152122  0.555489  1
  Al  Al28  1  0.304401  0.597588  0.589257  1
  Al  Al29  1  0.273663  0.536319  0.534944  1
  Al  Al30  1  0.496219  0.981253  0.568337  1
  Al  Al31  1  0.122793  0.234161  0.611526  1
  Al  Al32  1  0.348744  0.686188  0.646078  1
  Al  Al33  1  0.526969  0.042276  0.622327  1
  Al  Al34  1  0.749789  0.488449  0.655366  1
  Al  Al35  1  0.719294  0.427380  0.601273  1
  Al  Al36  1  0.941337  0.871168  0.635025  1
  Al  Al37  1  0.571829  0.131370  0.678116  1
  Al  Al38  1  0.787025  0.563754  0.714332  1
  Al  Al39  1  0.972426  0.933142  0.687838  1
  Al  Al40  1  0.190532  0.373144  0.721556  1
  Al  Al41  1  0.164155  0.316645  0.667501  1
  Al  Al42  1  0.385923  0.760462  0.703460  1
  Ni  Ni43  1  0.412137  0.813204  0.306542  1
  Ni  Ni44  1  0.184154  0.358382  0.273177  1
  Ni  Ni45  1  0.827709  0.645001  0.316904  1
  Ni  Ni46  1  0.605258  0.201493  0.284443  1
  Ni  Ni47  1  0.856915  0.703165  0.372305  1
  Ni  Ni48  1  0.634055  0.258145  0.339815  1
  Ni  Ni49  1  0.271307  0.532260  0.384615  1
  Ni  Ni50  1  0.048154  0.086182  0.352042  1
  Ni  Ni51  1  0.302445  0.594117  0.439179  1
  Ni  Ni52  1  0.079606  0.148606  0.406161  1
  Ni  Ni53  1  0.716855  0.423098  0.451203  1
  Ni  Ni54  1  0.493848  0.977146  0.418163  1
  Ni  Ni55  1  0.747802  0.484585  0.505879  1
  Ni  Ni56  1  0.524919  0.038903  0.472739  1
  Ni  Ni57  1  0.162218  0.313569  0.517838  1
  Ni  Ni58  1  0.939335  0.867886  0.484698  1
  Ni  Ni59  1  0.193289  0.375325  0.572413  1
  Ni  Ni60  1  0.970282  0.929373  0.539374  1
  Ni  Ni61  1  0.607531  0.203865  0.584416  1
  Ni  Ni62  1  0.384692  0.758354  0.551398  1
  Ni  Ni63  1  0.638983  0.266289  0.638534  1
  Ni  Ni64  1  0.415830  0.820211  0.605962  1
  Ni  Ni65  1  0.053082  0.094326  0.650762  1
  Ni  Ni66  1  0.830222  0.649306  0.618272  1
  Ni  Ni67  1  0.081879  0.150978  0.706134  1
  Ni  Ni68  1  0.859428  0.707470  0.673673  1
  Ni  Ni69  1  0.502983  0.994089  0.717400  1
  Ni  Ni70  1  0.275000  0.539268  0.684035  1
