# generated using pymatgen
data_Zr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.09949288
_cell_length_b   17.24667177
_cell_length_c   48.59240599
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   74.65280669
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ni
_chemical_formula_sum   'Zr120 Ni60'
_cell_volume   7353.954819
_cell_formula_units_Z   60
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  0.372616  0.761426  0.286019  1
  Zr  Zr2  1  0.216457  0.073653  0.316069  1
  Zr  Zr3  1  0.061625  0.380351  0.346183  1
  Zr  Zr4  1  0.474605  0.893730  0.331714  1
  Zr  Zr5  1  0.321744  0.200164  0.361356  1
  Zr  Zr6  1  0.629144  0.584491  0.302286  1
  Zr  Zr7  1  0.712175  0.741031  0.316779  1
  Zr  Zr8  1  0.562417  0.046393  0.346486  1
  Zr  Zr9  1  0.863224  0.421508  0.288725  1
  Zr  Zr10  1  0.283249  0.940733  0.273298  1
  Zr  Zr11  1  0.122684  0.251305  0.300828  1
  Zr  Zr12  1  0.971202  0.560601  0.328766  1
  Zr  Zr13  1  0.795890  0.915878  0.299911  1
  Zr  Zr14  1  0.642283  0.226585  0.331057  1
  Zr  Zr15  1  0.485731  0.534078  0.361082  1
  Zr  Zr16  1  0.052517  0.741159  0.316856  1
  Zr  Zr17  1  0.899078  0.046690  0.346435  1
  Zr  Zr18  1  0.207218  0.425678  0.287594  1
  Zr  Zr19  1  0.138490  0.893777  0.331687  1
  Zr  Zr20  1  0.449130  0.264767  0.274851  1
  Zr  Zr21  1  0.290242  0.585605  0.302362  1
  Zr  Zr22  1  0.396358  0.713413  0.346810  1
  Zr  Zr23  1  0.706223  0.096024  0.287250  1
  Zr  Zr24  1  0.546387  0.406274  0.314644  1
  Zr  Zr25  1  0.909069  0.687742  0.376052  1
  Zr  Zr26  1  0.755215  0.996412  0.407062  1
  Zr  Zr27  1  0.600823  0.304819  0.437067  1
  Zr  Zr28  1  0.012921  0.816568  0.422574  1
  Zr  Zr29  1  0.859008  0.125193  0.452879  1
  Zr  Zr30  1  0.165940  0.508971  0.391595  1
  Zr  Zr31  1  0.253458  0.662623  0.407298  1
  Zr  Zr32  1  0.099574  0.970905  0.437945  1
  Zr  Zr33  1  0.407668  0.354702  0.376529  1
  Zr  Zr34  1  0.819684  0.867508  0.361854  1
  Zr  Zr35  1  0.665916  0.175007  0.392373  1
  Zr  Zr36  1  0.511376  0.483249  0.422511  1
  Zr  Zr37  1  0.331989  0.842431  0.392201  1
  Zr  Zr38  1  0.178084  0.150676  0.422147  1
  Zr  Zr39  1  0.023683  0.458872  0.452237  1
  Zr  Zr40  1  0.590014  0.662624  0.407312  1
  Zr  Zr41  1  0.436255  0.970973  0.437918  1
  Zr  Zr42  1  0.743544  0.354566  0.376249  1
  Zr  Zr43  1  0.676913  0.816640  0.422564  1
  Zr  Zr44  1  0.984783  0.200058  0.361572  1
  Zr  Zr45  1  0.830597  0.508963  0.391626  1
  Zr  Zr46  1  0.934486  0.637195  0.437831  1
  Zr  Zr47  1  0.242915  0.021295  0.377422  1
  Zr  Zr48  1  0.088415  0.329143  0.407417  1
  Zr  Zr49  1  0.446842  0.612668  0.467710  1
  Zr  Zr50  1  0.292945  0.920675  0.498276  1
  Zr  Zr51  1  0.138583  0.229243  0.528303  1
  Zr  Zr52  1  0.551066  0.741226  0.513780  1
  Zr  Zr53  1  0.396824  0.049353  0.543981  1
  Zr  Zr54  1  0.704915  0.433352  0.483002  1
  Zr  Zr55  1  0.791271  0.587301  0.498395  1
  Zr  Zr56  1  0.637186  0.895210  0.528942  1
  Zr  Zr57  1  0.945168  0.279410  0.467885  1
  Zr  Zr58  1  0.357694  0.791121  0.453356  1
  Zr  Zr59  1  0.203527  0.099735  0.483561  1
  Zr  Zr60  1  0.049262  0.407981  0.513735  1
  Zr  Zr61  1  0.869892  0.766614  0.483048  1
  Zr  Zr62  1  0.715626  0.074860  0.513222  1
  Zr  Zr63  1  0.561460  0.383475  0.543428  1
  Zr  Zr64  1  0.127882  0.587295  0.498388  1
  Zr  Zr65  1  0.973985  0.895186  0.528898  1
  Zr  Zr66  1  0.281968  0.279386  0.467842  1
  Zr  Zr67  1  0.214238  0.741243  0.513782  1
  Zr  Zr68  1  0.522329  0.125242  0.452803  1
  Zr  Zr69  1  0.368088  0.433369  0.483004  1
  Zr  Zr70  1  0.472311  0.561928  0.529074  1
  Zr  Zr71  1  0.780570  0.945352  0.468481  1
  Zr  Zr72  1  0.626208  0.253921  0.498508  1
  Zr  Zr73  1  0.984667  0.537400  0.558952  1
  Zr  Zr74  1  0.830739  0.845452  0.589367  1
  Zr  Zr75  1  0.676238  0.153301  0.619362  1
  Zr  Zr76  1  0.088556  0.665632  0.605157  1
  Zr  Zr77  1  0.934370  0.974537  0.635212  1
  Zr  Zr78  1  0.242240  0.357955  0.574219  1
  Zr  Zr79  1  0.329139  0.511971  0.589471  1
  Zr  Zr80  1  0.175609  0.820029  0.620534  1
  Zr  Zr81  1  0.482898  0.203623  0.558866  1
  Zr  Zr82  1  0.895470  0.715724  0.544546  1
  Zr  Zr83  1  0.741069  0.023919  0.574637  1
  Zr  Zr84  1  0.587164  0.332164  0.604583  1
  Zr  Zr85  1  0.407777  0.691346  0.574272  1
  Zr  Zr86  1  0.253237  0.999589  0.604411  1
  Zr  Zr87  1  0.099469  0.307088  0.634930  1
  Zr  Zr88  1  0.665695  0.511973  0.589486  1
  Zr  Zr89  1  0.511485  0.819893  0.620255  1
  Zr  Zr90  1  0.819579  0.203690  0.558838  1
  Zr  Zr91  1  0.753213  0.665625  0.605188  1
  Zr  Zr92  1  0.060145  0.049402  0.543905  1
  Zr  Zr93  1  0.906233  0.358027  0.574210  1
  Zr  Zr94  1  0.010084  0.486854  0.620731  1
  Zr  Zr95  1  0.318330  0.869777  0.559716  1
  Zr  Zr96  1  0.163938  0.178183  0.589722  1
  Zr  Zr97  1  0.522796  0.461182  0.649973  1
  Zr  Zr98  1  0.372767  0.768322  0.682139  1
  Zr  Zr99  1  0.212930  0.078571  0.709534  1
  Zr  Zr100  1  0.628911  0.588990  0.694421  1
  Zr  Zr101  1  0.470023  0.909829  0.721932  1
  Zr  Zr102  1  0.780663  0.280818  0.665097  1
  Zr  Zr103  1  0.866637  0.433436  0.679928  1
  Zr  Zr104  1  0.711935  0.748918  0.709190  1
  Zr  Zr105  1  0.020075  0.127905  0.650348  1
  Zr  Zr106  1  0.433422  0.640517  0.635701  1
  Zr  Zr107  1  0.276870  0.948011  0.665726  1
  Zr  Zr108  1  0.123263  0.258718  0.696872  1
  Zr  Zr109  1  0.947952  0.613994  0.668017  1
  Zr  Zr110  1  0.796470  0.923290  0.695956  1
  Zr  Zr111  1  0.635904  0.233862  0.723485  1
  Zr  Zr112  1  0.206979  0.433565  0.680004  1
  Zr  Zr113  1  0.055929  0.753088  0.708059  1
  Zr  Zr114  1  0.356736  0.128202  0.650297  1
  Zr  Zr115  1  0.290009  0.590104  0.694497  1
  Zr  Zr116  1  0.597409  0.974431  0.635427  1
  Zr  Zr117  1  0.444548  0.280866  0.665069  1
  Zr  Zr118  1  0.546538  0.413169  0.710764  1
  Zr  Zr119  1  0.857528  0.794244  0.650600  1
  Zr  Zr120  1  0.702696  0.100942  0.680714  1
  Ni  Ni121  1  0.499558  0.008265  0.293866  1
  Ni  Ni122  1  0.343948  0.314498  0.323745  1
  Ni  Ni123  1  0.188709  0.623863  0.353825  1
  Ni  Ni124  1  0.570599  0.857709  0.279778  1
  Ni  Ni125  1  0.422206  0.159741  0.309065  1
  Ni  Ni126  1  0.266934  0.470103  0.338578  1
  Ni  Ni127  1  0.079138  0.857371  0.279824  1
  Ni  Ni128  1  0.921521  0.161108  0.308865  1
  Ni  Ni129  1  0.766832  0.469419  0.338587  1
  Ni  Ni130  1  1.000226  0.009111  0.293785  1
  Ni  Ni131  1  0.844025  0.313949  0.324018  1
  Ni  Ni132  1  0.692593  0.624010  0.353862  1
  Ni  Ni133  1  0.037571  0.931719  0.385137  1
  Ni  Ni134  1  0.883133  0.239965  0.414816  1
  Ni  Ni135  1  0.729187  0.547965  0.445042  1
  Ni  Ni136  1  0.113605  0.777710  0.369678  1
  Ni  Ni137  1  0.960669  0.085535  0.400050  1
  Ni  Ni138  1  0.806008  0.394156  0.429634  1
  Ni  Ni139  1  0.614993  0.777757  0.369674  1
  Ni  Ni140  1  0.460575  0.085827  0.399820  1
  Ni  Ni141  1  0.305891  0.394171  0.429671  1
  Ni  Ni142  1  0.537537  0.931713  0.385145  1
  Ni  Ni143  1  0.383328  0.240010  0.414600  1
  Ni  Ni144  1  0.229017  0.547990  0.445024  1
  Ni  Ni145  1  0.575330  0.855967  0.475757  1
  Ni  Ni146  1  0.420981  0.164424  0.505881  1
  Ni  Ni147  1  0.266800  0.472652  0.536279  1
  Ni  Ni148  1  0.652354  0.701944  0.460504  1
  Ni  Ni149  1  0.498172  0.010171  0.490903  1
  Ni  Ni150  1  0.343823  0.318628  0.521026  1
  Ni  Ni151  1  0.152098  0.701922  0.460505  1
  Ni  Ni152  1  0.998150  0.010167  0.490894  1
  Ni  Ni153  1  0.843936  0.318661  0.521034  1
  Ni  Ni154  1  0.075217  0.855934  0.475750  1
  Ni  Ni155  1  0.921003  0.164429  0.505889  1
  Ni  Ni156  1  0.767055  0.472674  0.536278  1
  Ni  Ni157  1  0.113145  0.780440  0.567150  1
  Ni  Ni158  1  0.958484  0.089060  0.596734  1
  Ni  Ni159  1  0.805548  0.396886  0.627106  1
  Ni  Ni160  1  0.189966  0.626631  0.551741  1
  Ni  Ni161  1  0.036020  0.934631  0.581968  1
  Ni  Ni162  1  0.881583  0.242876  0.611646  1
  Ni  Ni163  1  0.690136  0.626606  0.551760  1
  Ni  Ni164  1  0.535825  0.934586  0.582184  1
  Ni  Ni165  1  0.381616  0.242882  0.611639  1
  Ni  Ni166  1  0.613263  0.780424  0.567112  1
  Ni  Ni167  1  0.458578  0.088769  0.596964  1
  Ni  Ni168  1  0.304161  0.396838  0.627109  1
  Ni  Ni169  1  0.652219  0.704493  0.658205  1
  Ni  Ni170  1  0.496947  0.014855  0.687719  1
  Ni  Ni171  1  0.348554  0.316887  0.717005  1
  Ni  Ni172  1  0.730444  0.550733  0.642959  1
  Ni  Ni173  1  0.575205  0.860098  0.673039  1
  Ni  Ni174  1  0.419595  0.166331  0.702917  1
  Ni  Ni175  1  0.226560  0.550586  0.642921  1
  Ni  Ni176  1  0.075128  0.860647  0.672766  1
  Ni  Ni177  1  0.918927  0.165484  0.702998  1
  Ni  Ni178  1  0.152321  0.705176  0.658197  1
  Ni  Ni179  1  0.997633  0.013488  0.687918  1
  Ni  Ni180  1  0.840015  0.317224  0.716960  1
