# generated using pymatgen
data_Zr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.09548772
_cell_length_b   12.46441018
_cell_length_c   46.45892223
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.51689020
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ni
_chemical_formula_sum   'Zr80 Ni40'
_cell_volume   4901.1180813
_cell_formula_units_Z   40
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
  Zr  Zr1  1  0.282997  0.936906  0.331182  1
  Zr  Zr2  1  0.500793  0.507261  0.285829  1
  Zr  Zr3  1  0.805973  0.243937  0.295453  1
  Zr  Zr4  1  0.585593  0.671427  0.339168  1
  Zr  Zr5  1  0.644390  0.882429  0.361084  1
  Zr  Zr6  1  0.853117  0.461992  0.316736  1
  Zr  Zr7  1  0.155435  0.200704  0.322019  1
  Zr  Zr8  1  0.368628  0.771522  0.279977  1
  Zr  Zr9  1  0.681803  0.145856  0.353731  1
  Zr  Zr10  1  0.892819  0.722029  0.306975  1
  Zr  Zr11  1  0.414232  0.022726  0.274664  1
  Zr  Zr12  1  0.193116  0.463117  0.316832  1
  Zr  Zr13  1  0.463173  0.246968  0.294733  1
  Zr  Zr14  1  0.249769  0.672199  0.339088  1
  Zr  Zr15  1  0.764314  0.988515  0.300806  1
  Zr  Zr16  1  0.550637  0.407565  0.346670  1
  Zr  Zr17  1  0.863491  0.779736  0.421957  1
  Zr  Zr18  1  0.075118  0.357077  0.376136  1
  Zr  Zr19  1  0.374690  0.093841  0.384121  1
  Zr  Zr20  1  0.163621  0.515866  0.430021  1
  Zr  Zr21  1  0.221379  0.727419  0.452915  1
  Zr  Zr22  1  0.433150  0.304590  0.407277  1
  Zr  Zr23  1  0.733225  0.041072  0.414974  1
  Zr  Zr24  1  0.943990  0.619638  0.369175  1
  Zr  Zr25  1  0.257749  0.991159  0.444725  1
  Zr  Zr26  1  0.469376  0.568222  0.399656  1
  Zr  Zr27  1  0.980668  0.882148  0.361324  1
  Zr  Zr28  1  0.769968  0.304481  0.407303  1
  Zr  Zr29  1  0.038572  0.093814  0.383783  1
  Zr  Zr30  1  0.827395  0.516116  0.429969  1
  Zr  Zr31  1  0.338447  0.830309  0.392426  1
  Zr  Zr32  1  0.127452  0.252302  0.437783  1
  Zr  Zr33  1  0.441331  0.624286  0.513259  1
  Zr  Zr34  1  0.652587  0.201795  0.467654  1
  Zr  Zr35  1  0.952530  0.938552  0.475528  1
  Zr  Zr36  1  0.741597  0.360620  0.521242  1
  Zr  Zr37  1  0.799096  0.571782  0.543812  1
  Zr  Zr38  1  0.010246  0.149669  0.498333  1
  Zr  Zr39  1  0.310352  0.886378  0.506248  1
  Zr  Zr40  1  0.521954  0.463450  0.460814  1
  Zr  Zr41  1  0.835307  0.835816  0.535876  1
  Zr  Zr42  1  0.046908  0.412888  0.490443  1
  Zr  Zr43  1  0.558165  0.727484  0.452879  1
  Zr  Zr44  1  0.347015  0.149597  0.498357  1
  Zr  Zr45  1  0.615664  0.938646  0.475448  1
  Zr  Zr46  1  0.404731  0.360714  0.521163  1
  Zr  Zr47  1  0.915930  0.674980  0.483432  1
  Zr  Zr48  1  0.704673  0.097471  0.529037  1
  Zr  Zr49  1  0.018813  0.468957  0.604265  1
  Zr  Zr50  1  0.229809  0.046964  0.558908  1
  Zr  Zr51  1  0.529866  0.783150  0.566721  1
  Zr  Zr52  1  0.318689  0.205452  0.612907  1
  Zr  Zr53  1  0.376593  0.417118  0.635367  1
  Zr  Zr54  1  0.587293  0.994785  0.589388  1
  Zr  Zr55  1  0.887885  0.731044  0.597034  1
  Zr  Zr56  1  0.099512  0.308106  0.551966  1
  Zr  Zr57  1  0.413271  0.679627  0.627516  1
  Zr  Zr58  1  0.624035  0.258194  0.581717  1
  Zr  Zr59  1  0.135882  0.571847  0.543775  1
  Zr  Zr60  1  0.924111  0.994676  0.589413  1
  Zr  Zr61  1  0.193640  0.783400  0.566670  1
  Zr  Zr62  1  0.982570  0.205425  0.612569  1
  Zr  Zr63  1  0.493769  0.519530  0.574733  1
  Zr  Zr64  1  0.282142  0.942189  0.620555  1
  Zr  Zr65  1  0.592946  0.310751  0.695885  1
  Zr  Zr66  1  0.806624  0.891701  0.650020  1
  Zr  Zr67  1  0.107492  0.627067  0.657603  1
  Zr  Zr68  1  0.894088  0.052298  0.701958  1
  Zr  Zr69  1  0.943028  0.276540  0.722027  1
  Zr  Zr70  1  0.164144  0.836148  0.679858  1
  Zr  Zr71  1  0.464441  0.577237  0.689715  1
  Zr  Zr72  1  0.675458  0.153410  0.642959  1
  Zr  Zr73  1  0.988632  0.527743  0.716714  1
  Zr  Zr74  1  0.201825  0.098562  0.674671  1
  Zr  Zr75  1  0.712870  0.416837  0.635606  1
  Zr  Zr76  1  0.504143  0.837273  0.679955  1
  Zr  Zr77  1  0.771668  0.627839  0.657523  1
  Zr  Zr78  1  0.551287  0.055329  0.701238  1
  Zr  Zr79  1  0.074263  0.362360  0.665509  1
  Zr  Zr80  1  0.856467  0.792005  0.710861  1
  Ni  Ni81  1  0.363079  0.277871  0.350185  1
  Ni  Ni82  1  0.579156  0.853479  0.305207  1
  Ni  Ni83  1  0.471878  0.066186  0.327457  1
  Ni  Ni84  1  0.677045  0.646357  0.283652  1
  Ni  Ni85  1  0.972518  0.065945  0.327416  1
  Ni  Ni86  1  0.182706  0.648388  0.283602  1
  Ni  Ni87  1  0.868066  0.277090  0.350079  1
  Ni  Ni88  1  0.076862  0.855428  0.305123  1
  Ni  Ni89  1  0.942850  0.121581  0.441193  1
  Ni  Ni90  1  0.153995  0.699015  0.396306  1
  Ni  Ni91  1  0.048177  0.910636  0.418552  1
  Ni  Ni92  1  0.259421  0.487954  0.373355  1
  Ni  Ni93  1  0.548162  0.910850  0.418335  1
  Ni  Ni94  1  0.760263  0.488074  0.373420  1
  Ni  Ni95  1  0.442740  0.121589  0.441235  1
  Ni  Ni96  1  0.653836  0.699554  0.396101  1
  Ni  Ni97  1  0.519925  0.966575  0.532511  1
  Ni  Ni98  1  0.731532  0.543958  0.486933  1
  Ni  Ni99  1  0.625728  0.755308  0.509758  1
  Ni  Ni100  1  0.837335  0.332691  0.464180  1
  Ni  Ni101  1  0.125798  0.755321  0.509768  1
  Ni  Ni102  1  0.337046  0.332678  0.464169  1
  Ni  Ni103  1  0.020215  0.966587  0.532521  1
  Ni  Ni104  1  0.231462  0.543945  0.486923  1
  Ni  Ni105  1  0.097840  0.811311  0.623336  1
  Ni  Ni106  1  0.309083  0.388630  0.578138  1
  Ni  Ni107  1  0.203266  0.600251  0.600384  1
  Ni  Ni108  1  0.414410  0.177685  0.555498  1
  Ni  Ni109  1  0.703424  0.599712  0.600590  1
  Ni  Ni110  1  0.914521  0.177677  0.555455  1
  Ni  Ni111  1  0.596998  0.811191  0.623270  1
  Ni  Ni112  1  0.809098  0.388416  0.578356  1
  Ni  Ni113  1  0.680216  0.652909  0.713039  1
  Ni  Ni114  1  0.885382  0.233080  0.669234  1
  Ni  Ni115  1  0.778105  0.445787  0.691483  1
  Ni  Ni116  1  0.994181  0.021395  0.646506  1
  Ni  Ni117  1  0.280398  0.443838  0.691568  1
  Ni  Ni118  1  0.489194  0.022176  0.646612  1
  Ni  Ni119  1  0.174554  0.650878  0.713089  1
  Ni  Ni120  1  0.384743  0.233321  0.669274  1
