# generated using pymatgen
data_Zr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.32264890
_cell_length_b   12.35184219
_cell_length_c   46.05372839
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   76.50121118
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ni
_chemical_formula_sum   'Zr128 Ni64'
_cell_volume   7922.34216045
_cell_formula_units_Z   64
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  0.246005  0.116165  0.299520  1
  Zr  Zr2  1  0.746005  0.616165  0.299520  1
  Zr  Zr3  1  0.671212  0.006681  0.356231  1
  Zr  Zr4  1  0.171212  0.506681  0.356231  1
  Zr  Zr5  1  0.102024  0.023595  0.347562  1
  Zr  Zr6  1  0.602024  0.523595  0.347562  1
  Zr  Zr7  1  0.685052  0.134521  0.292849  1
  Zr  Zr8  1  0.185052  0.634521  0.292849  1
  Zr  Zr9  1  0.233494  0.851860  0.310840  1
  Zr  Zr10  1  0.733494  0.351860  0.310840  1
  Zr  Zr11  1  0.657794  0.734316  0.365478  1
  Zr  Zr12  1  0.157794  0.234316  0.365478  1
  Zr  Zr13  1  0.089303  0.754113  0.356339  1
  Zr  Zr14  1  0.589303  0.254113  0.356339  1
  Zr  Zr15  1  0.664655  0.873185  0.300972  1
  Zr  Zr16  1  0.164655  0.373185  0.300972  1
  Zr  Zr17  1  0.421212  0.756681  0.356231  1
  Zr  Zr18  1  0.921212  0.256681  0.356231  1
  Zr  Zr19  1  0.996005  0.866165  0.299520  1
  Zr  Zr20  1  0.496005  0.366165  0.299520  1
  Zr  Zr21  1  0.435052  0.884521  0.292849  1
  Zr  Zr22  1  0.935052  0.384521  0.292849  1
  Zr  Zr23  1  0.852024  0.773595  0.347562  1
  Zr  Zr24  1  0.352024  0.273595  0.347562  1
  Zr  Zr25  1  0.483494  0.101860  0.310840  1
  Zr  Zr26  1  0.983494  0.601860  0.310840  1
  Zr  Zr27  1  0.907794  0.984316  0.365478  1
  Zr  Zr28  1  0.407794  0.484316  0.365478  1
  Zr  Zr29  1  0.339303  0.004113  0.356339  1
  Zr  Zr30  1  0.839303  0.504113  0.356339  1
  Zr  Zr31  1  0.914655  0.123185  0.300972  1
  Zr  Zr32  1  0.414655  0.623185  0.300972  1
  Zr  Zr33  1  0.093413  0.888918  0.412063  1
  Zr  Zr34  1  0.593413  0.388918  0.412063  1
  Zr  Zr35  1  0.516205  0.773027  0.467541  1
  Zr  Zr36  1  0.016205  0.273027  0.467541  1
  Zr  Zr37  1  0.948813  0.791562  0.458919  1
  Zr  Zr38  1  0.448813  0.291562  0.458919  1
  Zr  Zr39  1  0.526730  0.907311  0.403066  1
  Zr  Zr40  1  0.026730  0.407311  0.403066  1
  Zr  Zr41  1  0.080547  0.619155  0.421708  1
  Zr  Zr42  1  0.580547  0.119155  0.421708  1
  Zr  Zr43  1  0.502490  0.503091  0.477287  1
  Zr  Zr44  1  1.002490  0.003091  0.477287  1
  Zr  Zr45  1  0.935599  0.521337  0.468479  1
  Zr  Zr46  1  0.435599  0.021337  0.468479  1
  Zr  Zr47  1  0.512966  0.637277  0.412600  1
  Zr  Zr48  1  0.012966  0.137277  0.412600  1
  Zr  Zr49  1  0.266205  0.523027  0.467541  1
  Zr  Zr50  1  0.766205  0.023027  0.467541  1
  Zr  Zr51  1  0.843413  0.638918  0.412063  1
  Zr  Zr52  1  0.343413  0.138918  0.412063  1
  Zr  Zr53  1  0.276730  0.657311  0.403066  1
  Zr  Zr54  1  0.776730  0.157311  0.403066  1
  Zr  Zr55  1  0.698813  0.541562  0.458919  1
  Zr  Zr56  1  0.198813  0.041562  0.458919  1
  Zr  Zr57  1  0.330547  0.869155  0.421708  1
  Zr  Zr58  1  0.830547  0.369155  0.421708  1
  Zr  Zr59  1  0.752490  0.753091  0.477287  1
  Zr  Zr60  1  0.252490  0.253091  0.477287  1
  Zr  Zr61  1  0.185599  0.771337  0.468479  1
  Zr  Zr62  1  0.685599  0.271337  0.468479  1
  Zr  Zr63  1  0.762966  0.887277  0.412600  1
  Zr  Zr64  1  0.262966  0.387277  0.412600  1
  Zr  Zr65  1  0.938461  0.657339  0.523262  1
  Zr  Zr66  1  0.438461  0.157339  0.523262  1
  Zr  Zr67  1  0.361094  0.541399  0.579140  1
  Zr  Zr68  1  0.861094  0.041399  0.579140  1
  Zr  Zr69  1  0.793513  0.559522  0.570033  1
  Zr  Zr70  1  0.293513  0.059522  0.570033  1
  Zr  Zr71  1  0.371570  0.675585  0.514454  1
  Zr  Zr72  1  0.871570  0.175585  0.514454  1
  Zr  Zr73  1  0.925247  0.387115  0.532822  1
  Zr  Zr74  1  0.425247  0.887115  0.532822  1
  Zr  Zr75  1  0.347330  0.271366  0.588675  1
  Zr  Zr76  1  0.847330  0.771366  0.588675  1
  Zr  Zr77  1  0.780647  0.289759  0.579678  1
  Zr  Zr78  1  0.280647  0.789759  0.579678  1
  Zr  Zr79  1  0.357855  0.405650  0.524199  1
  Zr  Zr80  1  0.857855  0.905650  0.524199  1
  Zr  Zr81  1  0.111094  0.291399  0.579140  1
  Zr  Zr82  1  0.611094  0.791399  0.579140  1
  Zr  Zr83  1  0.688461  0.407339  0.523262  1
  Zr  Zr84  1  0.188461  0.907339  0.523262  1
  Zr  Zr85  1  0.121570  0.425585  0.514454  1
  Zr  Zr86  1  0.621570  0.925585  0.514454  1
  Zr  Zr87  1  0.543513  0.309522  0.570033  1
  Zr  Zr88  1  0.043513  0.809522  0.570033  1
  Zr  Zr89  1  0.175247  0.637115  0.532822  1
  Zr  Zr90  1  0.675247  0.137115  0.532822  1
  Zr  Zr91  1  0.597330  0.521366  0.588675  1
  Zr  Zr92  1  0.097330  0.021366  0.588675  1
  Zr  Zr93  1  0.030647  0.539759  0.579678  1
  Zr  Zr94  1  0.530647  0.039759  0.579678  1
  Zr  Zr95  1  0.607855  0.655650  0.524199  1
  Zr  Zr96  1  0.107855  0.155650  0.524199  1
  Zr  Zr97  1  0.784757  0.424563  0.635402  1
  Zr  Zr98  1  0.284757  0.924563  0.635402  1
  Zr  Zr99  1  0.209405  0.305492  0.690768  1
  Zr  Zr100  1  0.709405  0.805492  0.690768  1
  Zr  Zr101  1  0.640566  0.326816  0.680901  1
  Zr  Zr102  1  0.140566  0.826816  0.680901  1
  Zr  Zr103  1  0.216266  0.444360  0.626262  1
  Zr  Zr104  1  0.716266  0.944360  0.626262  1
  Zr  Zr105  1  0.772036  0.155082  0.644178  1
  Zr  Zr106  1  0.272036  0.655082  0.644178  1
  Zr  Zr107  1  0.189008  0.044155  0.698891  1
  Zr  Zr108  1  0.689008  0.544155  0.698891  1
  Zr  Zr109  1  0.628055  0.062512  0.692220  1
  Zr  Zr110  1  0.128055  0.562512  0.692220  1
  Zr  Zr111  1  0.202848  0.171996  0.635510  1
  Zr  Zr112  1  0.702848  0.671996  0.635510  1
  Zr  Zr113  1  0.959405  0.055492  0.690768  1
  Zr  Zr114  1  0.459405  0.555492  0.690768  1
  Zr  Zr115  1  0.534757  0.174563  0.635402  1
  Zr  Zr116  1  0.034757  0.674563  0.635402  1
  Zr  Zr117  1  0.966266  0.194360  0.626262  1
  Zr  Zr118  1  0.466266  0.694360  0.626262  1
  Zr  Zr119  1  0.390566  0.076816  0.680901  1
  Zr  Zr120  1  0.890566  0.576816  0.680901  1
  Zr  Zr121  1  0.022036  0.405082  0.644178  1
  Zr  Zr122  1  0.522036  0.905082  0.644178  1
  Zr  Zr123  1  0.439008  0.294155  0.698891  1
  Zr  Zr124  1  0.939008  0.794155  0.698891  1
  Zr  Zr125  1  0.878055  0.312512  0.692220  1
  Zr  Zr126  1  0.378055  0.812512  0.692220  1
  Zr  Zr127  1  0.452848  0.421996  0.635510  1
  Zr  Zr128  1  0.952848  0.921996  0.635510  1
  Ni  Ni129  1  0.236319  0.851084  0.371476  1
  Ni  Ni130  1  0.736319  0.351084  0.371476  1
  Ni  Ni131  1  0.813766  0.967718  0.315314  1
  Ni  Ni132  1  0.313766  0.467718  0.315314  1
  Ni  Ni133  1  0.344765  0.277494  0.289880  1
  Ni  Ni134  1  0.844765  0.777494  0.289880  1
  Ni  Ni135  1  0.775901  0.160624  0.342818  1
  Ni  Ni136  1  0.275901  0.660624  0.342818  1
  Ni  Ni137  1  0.063766  0.217718  0.315314  1
  Ni  Ni138  1  0.563766  0.717718  0.315314  1
  Ni  Ni139  1  0.486319  0.101084  0.371476  1
  Ni  Ni140  1  0.986319  0.601084  0.371476  1
  Ni  Ni141  1  0.094765  0.027494  0.289880  1
  Ni  Ni142  1  0.594765  0.527494  0.289880  1
  Ni  Ni143  1  0.525901  0.910624  0.342818  1
  Ni  Ni144  1  0.025901  0.410624  0.342818  1
  Ni  Ni145  1  0.081480  0.618204  0.481969  1
  Ni  Ni146  1  0.581480  0.118204  0.481969  1
  Ni  Ni147  1  0.658843  0.734443  0.426234  1
  Ni  Ni148  1  0.158843  0.234443  0.426234  1
  Ni  Ni149  1  0.198057  0.042261  0.399055  1
  Ni  Ni150  1  0.698057  0.542261  0.399055  1
  Ni  Ni151  1  0.620268  0.926234  0.454081  1
  Ni  Ni152  1  0.120268  0.426234  0.454081  1
  Ni  Ni153  1  0.908843  0.984443  0.426234  1
  Ni  Ni154  1  0.408843  0.484443  0.426234  1
  Ni  Ni155  1  0.331480  0.868204  0.481969  1
  Ni  Ni156  1  0.831480  0.368204  0.481969  1
  Ni  Ni157  1  0.948057  0.792261  0.399055  1
  Ni  Ni158  1  0.448057  0.292261  0.399055  1
  Ni  Ni159  1  0.370268  0.676234  0.454081  1
  Ni  Ni160  1  0.870268  0.176234  0.454081  1
  Ni  Ni161  1  0.926003  0.386416  0.592685  1
  Ni  Ni162  1  0.426003  0.886416  0.592685  1
  Ni  Ni163  1  0.503792  0.502442  0.537660  1
  Ni  Ni164  1  1.003792  0.002442  0.537660  1
  Ni  Ni165  1  0.042580  0.810472  0.509771  1
  Ni  Ni166  1  0.542580  0.310472  0.509771  1
  Ni  Ni167  1  0.465216  0.694233  0.565507  1
  Ni  Ni168  1  0.965216  0.194233  0.565507  1
  Ni  Ni169  1  0.753792  0.752442  0.537660  1
  Ni  Ni170  1  0.253792  0.252442  0.537660  1
  Ni  Ni171  1  0.176003  0.636416  0.592685  1
  Ni  Ni172  1  0.676003  0.136416  0.592685  1
  Ni  Ni173  1  0.792580  0.560472  0.509771  1
  Ni  Ni174  1  0.292580  0.060472  0.509771  1
  Ni  Ni175  1  0.215216  0.444233  0.565507  1
  Ni  Ni176  1  0.715216  0.944233  0.565507  1
  Ni  Ni177  1  0.779295  0.151182  0.701860  1
  Ni  Ni178  1  0.279295  0.651182  0.701860  1
  Ni  Ni179  1  0.348158  0.268052  0.648923  1
  Ni  Ni180  1  0.848158  0.768052  0.648923  1
  Ni  Ni181  1  0.887741  0.577593  0.620264  1
  Ni  Ni182  1  0.387741  0.077593  0.620264  1
  Ni  Ni183  1  0.310293  0.460958  0.676426  1
  Ni  Ni184  1  0.810293  0.960958  0.676426  1
  Ni  Ni185  1  0.598158  0.518052  0.648923  1
  Ni  Ni186  1  0.098158  0.018052  0.648923  1
  Ni  Ni187  1  0.029295  0.401182  0.701860  1
  Ni  Ni188  1  0.529295  0.901182  0.701860  1
  Ni  Ni189  1  0.637741  0.327593  0.620264  1
  Ni  Ni190  1  0.137741  0.827593  0.620264  1
  Ni  Ni191  1  0.060293  0.210958  0.676426  1
  Ni  Ni192  1  0.560293  0.710958  0.676426  1
