# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.84849093
_cell_length_b   7.37120591
_cell_length_c   47.99963952
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   56.82553992
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al42 Ni70'
_cell_volume   2916.59399903
_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  0.737872  0.460961  0.315757  1
  Al  Al2  1  0.030363  0.089130  0.307011  1
  Al  Al3  1  0.388664  0.802050  0.339030  1
  Al  Al4  1  0.237872  0.460961  0.315757  1
  Al  Al5  1  0.530363  0.089130  0.307011  1
  Al  Al6  1  0.888664  0.802050  0.339030  1
  Al  Al7  1  0.540183  0.808556  0.385675  1
  Al  Al8  1  0.874470  0.470076  0.367807  1
  Al  Al9  1  0.234356  0.194754  0.396795  1
  Al  Al10  1  0.040183  0.808556  0.385675  1
  Al  Al11  1  0.374470  0.470076  0.367807  1
  Al  Al12  1  0.734356  0.194754  0.396795  1
  Al  Al13  1  0.396234  0.212101  0.446173  1
  Al  Al14  1  0.699585  0.848419  0.433161  1
  Al  Al15  1  0.087876  0.573662  0.460031  1
  Al  Al16  1  0.896234  0.212101  0.446173  1
  Al  Al17  1  0.199585  0.848419  0.433161  1
  Al  Al18  1  0.587876  0.573662  0.460031  1
  Al  Al19  1  0.241425  0.595342  0.509121  1
  Al  Al20  1  0.551595  0.232067  0.495174  1
  Al  Al21  1  0.927800  0.956295  0.523924  1
  Al  Al22  1  0.741425  0.595342  0.509121  1
  Al  Al23  1  0.051595  0.232067  0.495174  1
  Al  Al24  1  0.427800  0.956295  0.523924  1
  Al  Al25  1  0.083677  0.976393  0.572623  1
  Al  Al26  1  0.395037  0.615941  0.558359  1
  Al  Al27  1  0.775276  0.340130  0.586554  1
  Al  Al28  1  0.583677  0.976393  0.572623  1
  Al  Al29  1  0.895037  0.615941  0.558359  1
  Al  Al30  1  0.275276  0.340130  0.586554  1
  Al  Al31  1  0.936877  0.369674  0.634366  1
  Al  Al32  1  0.243674  0.994467  0.621944  1
  Al  Al33  1  0.614851  0.721859  0.649497  1
  Al  Al34  1  0.436877  0.369674  0.634366  1
  Al  Al35  1  0.743674  0.994467  0.621944  1
  Al  Al36  1  0.114851  0.721859  0.649497  1
  Al  Al37  1  0.766123  0.714906  0.701897  1
  Al  Al38  1  0.082680  0.380620  0.683333  1
  Al  Al39  1  0.463355  0.107616  0.710490  1
  Al  Al40  1  0.266123  0.714906  0.701897  1
  Al  Al41  1  0.582680  0.380620  0.683333  1
  Al  Al42  1  0.963355  0.107616  0.710490  1
  Ni  Ni43  1  0.780138  0.752716  0.297377  1
  Ni  Ni44  1  0.512648  0.781213  0.296134  1
  Ni  Ni45  1  0.999771  0.440950  0.319316  1
  Ni  Ni46  1  0.644892  0.794695  0.339759  1
  Ni  Ni47  1  0.767630  0.107368  0.308399  1
  Ni  Ni48  1  0.280138  0.752716  0.297377  1
  Ni  Ni49  1  0.012648  0.781213  0.296134  1
  Ni  Ni50  1  0.499771  0.440950  0.319316  1
  Ni  Ni51  1  0.144892  0.794695  0.339759  1
  Ni  Ni52  1  0.267630  0.107368  0.308399  1
  Ni  Ni53  1  0.630608  0.138181  0.351474  1
  Ni  Ni54  1  0.383395  0.136625  0.351219  1
  Ni  Ni55  1  0.775447  0.838848  0.385041  1
  Ni  Ni56  1  0.504778  0.155728  0.398902  1
  Ni  Ni57  1  0.621854  0.474054  0.361102  1
  Ni  Ni58  1  0.130608  0.138181  0.351474  1
  Ni  Ni59  1  0.883395  0.136625  0.351219  1
  Ni  Ni60  1  0.275447  0.838848  0.385041  1
  Ni  Ni61  1  0.004778  0.155728  0.398902  1
  Ni  Ni62  1  0.121854  0.474054  0.361102  1
  Ni  Ni63  1  0.477005  0.530629  0.414044  1
  Ni  Ni64  1  0.238311  0.510618  0.414221  1
  Ni  Ni65  1  0.645730  0.212179  0.446078  1
  Ni  Ni66  1  0.358292  0.543522  0.463021  1
  Ni  Ni67  1  0.425330  0.885378  0.431083  1
  Ni  Ni68  1  0.977005  0.530629  0.414044  1
  Ni  Ni69  1  0.738311  0.510618  0.414221  1
  Ni  Ni70  1  0.145730  0.212179  0.446078  1
  Ni  Ni71  1  0.858292  0.543522  0.463021  1
  Ni  Ni72  1  0.925330  0.885378  0.431083  1
  Ni  Ni73  1  0.315065  0.900375  0.478394  1
  Ni  Ni74  1  0.062169  0.905704  0.478455  1
  Ni  Ni75  1  0.492313  0.593523  0.509260  1
  Ni  Ni76  1  0.195949  0.930107  0.526756  1
  Ni  Ni77  1  0.283121  0.259109  0.492210  1
  Ni  Ni78  1  0.815065  0.900375  0.478394  1
  Ni  Ni79  1  0.562169  0.905704  0.478455  1
  Ni  Ni80  1  0.992313  0.593523  0.509260  1
  Ni  Ni81  1  0.695949  0.930107  0.526756  1
  Ni  Ni82  1  0.783121  0.259109  0.492210  1
  Ni  Ni83  1  0.163096  0.286267  0.540850  1
  Ni  Ni84  1  0.913407  0.285666  0.540836  1
  Ni  Ni85  1  0.333626  0.977067  0.572928  1
  Ni  Ni86  1  0.046732  0.307606  0.588422  1
  Ni  Ni87  1  0.126980  0.642063  0.555393  1
  Ni  Ni88  1  0.663096  0.286267  0.540850  1
  Ni  Ni89  1  0.413407  0.285666  0.540836  1
  Ni  Ni90  1  0.833626  0.977067  0.572928  1
  Ni  Ni91  1  0.546732  0.307606  0.588422  1
  Ni  Ni92  1  0.626980  0.642063  0.555393  1
  Ni  Ni93  1  0.004720  0.663807  0.604739  1
  Ni  Ni94  1  0.751633  0.672207  0.603894  1
  Ni  Ni95  1  0.190415  0.357117  0.635567  1
  Ni  Ni96  1  0.875474  0.705213  0.656340  1
  Ni  Ni97  1  0.971701  0.032407  0.618896  1
  Ni  Ni98  1  0.504720  0.663807  0.604739  1
  Ni  Ni99  1  0.251633  0.672207  0.603894  1
  Ni  Ni100  1  0.690415  0.357117  0.635567  1
  Ni  Ni101  1  0.375474  0.705213  0.656340  1
  Ni  Ni102  1  0.471701  0.032407  0.618896  1
  Ni  Ni103  1  0.855123  0.055841  0.666044  1
  Ni  Ni104  1  0.607272  0.042892  0.667344  1
  Ni  Ni105  1  1.002732  0.754010  0.695939  1
  Ni  Ni106  1  0.743997  0.047551  0.707992  1
  Ni  Ni107  1  0.816664  0.398865  0.678147  1
  Ni  Ni108  1  0.355123  0.055841  0.666044  1
  Ni  Ni109  1  0.107272  0.042892  0.667344  1
  Ni  Ni110  1  0.502732  0.754010  0.695939  1
  Ni  Ni111  1  0.243997  0.047551  0.707992  1
  Ni  Ni112  1  0.316664  0.398865  0.678147  1
