# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   29.52736715
_cell_length_b   5.30874257
_cell_length_c   45.79951787
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.37921034
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi
_chemical_formula_sum   'Zr96 Ni96'
_cell_volume   7164.88998194
_cell_formula_units_Z   96
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  0.175349  0.345382  0.300665  1
  Zr  Zr2  1  0.509832  0.235527  0.317301  1
  Zr  Zr3  1  0.845372  0.458254  0.282453  1
  Zr  Zr4  1  0.248602  0.823408  0.302527  1
  Zr  Zr5  1  0.579731  0.710656  0.321748  1
  Zr  Zr6  1  0.921383  0.933600  0.286279  1
  Zr  Zr7  1  0.009832  0.235527  0.317301  1
  Zr  Zr8  1  0.345372  0.458254  0.282453  1
  Zr  Zr9  1  0.675349  0.345382  0.300665  1
  Zr  Zr10  1  0.079731  0.710656  0.321748  1
  Zr  Zr11  1  0.421383  0.933600  0.286279  1
  Zr  Zr12  1  0.748602  0.823408  0.302527  1
  Zr  Zr13  1  0.171632  0.015890  0.356818  1
  Zr  Zr14  1  0.499966  0.898681  0.374133  1
  Zr  Zr15  1  0.841468  0.135666  0.338515  1
  Zr  Zr16  1  0.243098  0.491330  0.359617  1
  Zr  Zr17  1  0.574566  0.369617  0.378184  1
  Zr  Zr18  1  0.909275  0.613090  0.342338  1
  Zr  Zr19  1  0.999966  0.898681  0.374133  1
  Zr  Zr20  1  0.341468  0.135666  0.338515  1
  Zr  Zr21  1  0.671632  0.015890  0.356818  1
  Zr  Zr22  1  0.074566  0.369617  0.378184  1
  Zr  Zr23  1  0.409275  0.613090  0.342338  1
  Zr  Zr24  1  0.743098  0.491330  0.359617  1
  Zr  Zr25  1  0.160478  0.638715  0.411272  1
  Zr  Zr26  1  0.492766  0.513216  0.429641  1
  Zr  Zr27  1  0.829203  0.762911  0.393458  1
  Zr  Zr28  1  0.236065  0.107753  0.415848  1
  Zr  Zr29  1  0.566405  0.986380  0.434027  1
  Zr  Zr30  1  0.906666  0.232513  0.397663  1
  Zr  Zr31  1  0.992766  0.513216  0.429641  1
  Zr  Zr32  1  0.329203  0.762911  0.393458  1
  Zr  Zr33  1  0.660478  0.638715  0.411272  1
  Zr  Zr34  1  0.066405  0.986380  0.434027  1
  Zr  Zr35  1  0.406666  0.232513  0.397663  1
  Zr  Zr36  1  0.736065  0.107753  0.415848  1
  Zr  Zr37  1  0.154900  0.281406  0.467669  1
  Zr  Zr38  1  0.485389  0.166748  0.486219  1
  Zr  Zr39  1  0.823659  0.397658  0.449194  1
  Zr  Zr40  1  0.228150  0.755165  0.471960  1
  Zr  Zr41  1  0.559045  0.639907  0.490166  1
  Zr  Zr42  1  0.896848  0.871940  0.453509  1
  Zr  Zr43  1  0.985389  0.166748  0.486219  1
  Zr  Zr44  1  0.323659  0.397658  0.449194  1
  Zr  Zr45  1  0.654900  0.281406  0.467669  1
  Zr  Zr46  1  0.059045  0.639907  0.490166  1
  Zr  Zr47  1  0.396848  0.871940  0.453509  1
  Zr  Zr48  1  0.728150  0.755165  0.471960  1
  Zr  Zr49  1  0.147292  0.931108  0.522913  1
  Zr  Zr50  1  0.478594  0.814333  0.541364  1
  Zr  Zr51  1  0.816398  0.046365  0.504707  1
  Zr  Zr52  1  0.220542  0.404866  0.527204  1
  Zr  Zr53  1  0.551784  0.288615  0.545680  1
  Zr  Zr54  1  0.890053  0.519524  0.508655  1
  Zr  Zr55  1  0.978594  0.814333  0.541364  1
  Zr  Zr56  1  0.316398  0.046365  0.504707  1
  Zr  Zr57  1  0.647292  0.931108  0.522913  1
  Zr  Zr58  1  0.051784  0.288615  0.545680  1
  Zr  Zr59  1  0.390053  0.519524  0.508655  1
  Zr  Zr60  1  0.720542  0.404866  0.527204  1
  Zr  Zr61  1  0.139378  0.578520  0.579026  1
  Zr  Zr62  1  0.468776  0.453760  0.597211  1
  Zr  Zr63  1  0.809037  0.699892  0.560847  1
  Zr  Zr64  1  0.214964  0.047558  0.583601  1
  Zr  Zr65  1  0.546240  0.923361  0.601416  1
  Zr  Zr66  1  0.882676  0.173056  0.565233  1
  Zr  Zr67  1  0.968776  0.453760  0.597211  1
  Zr  Zr68  1  0.309037  0.699892  0.560847  1
  Zr  Zr69  1  0.639378  0.578520  0.579026  1
  Zr  Zr70  1  0.046240  0.923361  0.601416  1
  Zr  Zr71  1  0.382676  0.173056  0.565233  1
  Zr  Zr72  1  0.714964  0.047558  0.583601  1
  Zr  Zr73  1  0.132344  0.194942  0.635257  1
  Zr  Zr74  1  0.466167  0.073183  0.652536  1
  Zr  Zr75  1  0.800877  0.316656  0.616689  1
  Zr  Zr76  1  0.203810  0.670383  0.638055  1
  Zr  Zr77  1  0.533974  0.550606  0.656359  1
  Zr  Zr78  1  0.875476  0.787591  0.620741  1
  Zr  Zr79  1  0.966167  0.073183  0.652536  1
  Zr  Zr80  1  0.300877  0.316656  0.616689  1
  Zr  Zr81  1  0.632344  0.194942  0.635257  1
  Zr  Zr82  1  0.033974  0.550606  0.656359  1
  Zr  Zr83  1  0.375476  0.787591  0.620741  1
  Zr  Zr84  1  0.703810  0.670383  0.638055  1
  Zr  Zr85  1  0.126840  0.862865  0.692347  1
  Zr  Zr86  1  0.454059  0.752672  0.708594  1
  Zr  Zr87  1  0.795711  0.975617  0.673125  1
  Zr  Zr88  1  0.200093  0.340890  0.694208  1
  Zr  Zr89  1  0.530070  0.228018  0.712421  1
  Zr  Zr90  1  0.865610  0.450746  0.677573  1
  Zr  Zr91  1  0.954059  0.752672  0.708594  1
  Zr  Zr92  1  0.295711  0.975617  0.673125  1
  Zr  Zr93  1  0.626840  0.862865  0.692347  1
  Zr  Zr94  1  0.030070  0.228018  0.712421  1
  Zr  Zr95  1  0.365610  0.450746  0.677573  1
  Zr  Zr96  1  0.700093  0.340890  0.694208  1
  Ni  Ni97  1  0.268782  0.298827  0.308353  1
  Ni  Ni98  1  0.600462  0.186744  0.326684  1
  Ni  Ni99  1  0.934823  0.416884  0.293147  1
  Ni  Ni100  1  0.158463  0.839171  0.305037  1
  Ni  Ni101  1  0.487860  0.725359  0.320465  1
  Ni  Ni102  1  0.829871  0.950918  0.287702  1
  Ni  Ni103  1  0.100462  0.186744  0.326684  1
  Ni  Ni104  1  0.434823  0.416884  0.293147  1
  Ni  Ni105  1  0.768782  0.298827  0.308353  1
  Ni  Ni106  1  0.987860  0.725359  0.320465  1
  Ni  Ni107  1  0.329871  0.950918  0.287702  1
  Ni  Ni108  1  0.658463  0.839171  0.305037  1
  Ni  Ni109  1  0.263275  0.992704  0.356992  1
  Ni  Ni110  1  0.593454  0.870227  0.376083  1
  Ni  Ni111  1  0.933352  0.108634  0.339573  1
  Ni  Ni112  1  0.150139  0.530081  0.351638  1
  Ni  Ni113  1  0.482025  0.414785  0.369302  1
  Ni  Ni114  1  0.818033  0.645729  0.333402  1
  Ni  Ni115  1  0.093454  0.870227  0.376083  1
  Ni  Ni116  1  0.433352  0.108634  0.339573  1
  Ni  Ni117  1  0.763275  0.992704  0.356992  1
  Ni  Ni118  1  0.982025  0.414785  0.369302  1
  Ni  Ni119  1  0.318033  0.645729  0.333402  1
  Ni  Ni120  1  0.650139  0.530081  0.351638  1
  Ni  Ni121  1  0.253604  0.595309  0.418572  1
  Ni  Ni122  1  0.585166  0.474146  0.437241  1
  Ni  Ni123  1  0.923703  0.724840  0.399230  1
  Ni  Ni124  1  0.142205  0.142331  0.411780  1
  Ni  Ni125  1  0.473592  0.012460  0.431337  1
  Ni  Ni126  1  0.811859  0.270314  0.392452  1
  Ni  Ni127  1  0.085166  0.474146  0.437241  1
  Ni  Ni128  1  0.423703  0.724840  0.399230  1
  Ni  Ni129  1  0.753604  0.595309  0.418572  1
  Ni  Ni130  1  0.973592  0.012460  0.431337  1
  Ni  Ni131  1  0.311859  0.270314  0.392452  1
  Ni  Ni132  1  0.642205  0.142331  0.411780  1
  Ni  Ni133  1  0.247479  0.248669  0.472848  1
  Ni  Ni134  1  0.578290  0.133163  0.490890  1
  Ni  Ni135  1  0.916670  0.366225  0.454265  1
  Ni  Ni136  1  0.135267  0.789303  0.466203  1
  Ni  Ni137  1  0.466369  0.674717  0.484358  1
  Ni  Ni138  1  0.804116  0.903768  0.448414  1
  Ni  Ni139  1  0.078290  0.133163  0.490890  1
  Ni  Ni140  1  0.416670  0.366225  0.454265  1
  Ni  Ni141  1  0.747479  0.248669  0.472848  1
  Ni  Ni142  1  0.966369  0.674717  0.484358  1
  Ni  Ni143  1  0.304116  0.903768  0.448414  1
  Ni  Ni144  1  0.635267  0.789303  0.466203  1
  Ni  Ni145  1  0.240176  0.896969  0.528670  1
  Ni  Ni146  1  0.571327  0.782505  0.546459  1
  Ni  Ni147  1  0.909074  0.011555  0.510516  1
  Ni  Ni148  1  0.127963  0.437604  0.522025  1
  Ni  Ni149  1  0.458773  0.320048  0.540608  1
  Ni  Ni150  1  0.797153  0.553109  0.503984  1
  Ni  Ni151  1  0.071327  0.782505  0.546459  1
  Ni  Ni152  1  0.409074  0.011555  0.510516  1
  Ni  Ni153  1  0.740176  0.896969  0.528670  1
  Ni  Ni154  1  0.958773  0.320048  0.540608  1
  Ni  Ni155  1  0.297153  0.553109  0.503984  1
  Ni  Ni156  1  0.627963  0.437604  0.522025  1
  Ni  Ni157  1  0.233237  0.543941  0.583094  1
  Ni  Ni158  1  0.563583  0.415959  0.602422  1
  Ni  Ni159  1  0.901851  0.673812  0.563536  1
  Ni  Ni160  1  0.121838  0.090964  0.576302  1
  Ni  Ni161  1  0.451739  0.961432  0.595643  1
  Ni  Ni162  1  0.790276  0.212126  0.557633  1
  Ni  Ni163  1  0.063583  0.415959  0.602422  1
  Ni  Ni164  1  0.401851  0.673812  0.563536  1
  Ni  Ni165  1  0.733237  0.543941  0.583094  1
  Ni  Ni166  1  0.951739  0.961432  0.595643  1
  Ni  Ni167  1  0.290276  0.212126  0.557633  1
  Ni  Ni168  1  0.621838  0.090964  0.576302  1
  Ni  Ni169  1  0.225303  0.156192  0.643235  1
  Ni  Ni170  1  0.557410  0.040544  0.661471  1
  Ni  Ni171  1  0.893417  0.271488  0.625572  1
  Ni  Ni172  1  0.112167  0.693569  0.637882  1
  Ni  Ni173  1  0.442091  0.577639  0.655301  1
  Ni  Ni174  1  0.781989  0.816046  0.618791  1
  Ni  Ni175  1  0.057410  0.040544  0.661471  1
  Ni  Ni176  1  0.393417  0.271488  0.625572  1
  Ni  Ni177  1  0.725303  0.156192  0.643235  1
  Ni  Ni178  1  0.942091  0.577639  0.655301  1
  Ni  Ni179  1  0.281989  0.816046  0.618791  1
  Ni  Ni180  1  0.612167  0.693569  0.637882  1
  Ni  Ni181  1  0.216979  0.847101  0.689837  1
  Ni  Ni182  1  0.545571  0.735354  0.707172  1
  Ni  Ni183  1  0.887582  0.960914  0.674409  1
  Ni  Ni184  1  0.106661  0.387445  0.686521  1
  Ni  Ni185  1  0.440619  0.269389  0.701727  1
  Ni  Ni186  1  0.774980  0.499529  0.668190  1
  Ni  Ni187  1  0.045571  0.735354  0.707172  1
  Ni  Ni188  1  0.387582  0.960914  0.674409  1
  Ni  Ni189  1  0.716979  0.847101  0.689837  1
  Ni  Ni190  1  0.940619  0.269389  0.701727  1
  Ni  Ni191  1  0.274980  0.499529  0.668190  1
  Ni  Ni192  1  0.606661  0.387445  0.686521  1
