# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.70096542
_cell_length_b   18.13559834
_cell_length_c   51.15491462
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.34422920
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr64 Ni168'
_cell_volume   7063.00611621
_cell_formula_units_Z   8
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  0.205021  0.132443  0.288090  1
  Zr  Zr2  1  0.128959  0.781640  0.345712  1
  Zr  Zr3  1  0.237298  0.481984  0.311447  1
  Zr  Zr4  1  0.189456  0.167181  0.369836  1
  Zr  Zr5  1  0.684946  0.219194  0.327747  1
  Zr  Zr6  1  0.711741  0.507460  0.281452  1
  Zr  Zr7  1  0.623722  0.736652  0.386245  1
  Zr  Zr8  1  0.635629  0.059202  0.333567  1
  Zr  Zr9  1  0.707696  0.554553  0.351306  1
  Zr  Zr10  1  0.716866  0.864798  0.298337  1
  Zr  Zr11  1  0.616660  0.393578  0.365167  1
  Zr  Zr12  1  0.645044  0.707387  0.309279  1
  Zr  Zr13  1  0.194373  0.622014  0.384992  1
  Zr  Zr14  1  0.223957  0.937981  0.332721  1
  Zr  Zr15  1  0.130519  0.324654  0.330692  1
  Zr  Zr16  1  0.175770  0.638336  0.279478  1
  Zr  Zr17  1  0.101808  0.464932  0.401263  1
  Zr  Zr18  1  0.073901  0.147606  0.456947  1
  Zr  Zr19  1  0.156992  0.849284  0.424460  1
  Zr  Zr20  1  0.129456  0.531542  0.480386  1
  Zr  Zr21  1  0.635822  0.577088  0.439785  1
  Zr  Zr22  1  0.664232  0.894993  0.384027  1
  Zr  Zr23  1  0.567258  0.101669  0.498191  1
  Zr  Zr24  1  0.594943  0.418982  0.443081  1
  Zr  Zr25  1  0.644553  0.918560  0.462515  1
  Zr  Zr26  1  0.673814  0.236070  0.407124  1
  Zr  Zr27  1  0.559056  0.760936  0.474280  1
  Zr  Zr28  1  0.587072  0.077703  0.419377  1
  Zr  Zr29  1  0.134728  0.988169  0.496067  1
  Zr  Zr30  1  0.162429  0.306468  0.441252  1
  Zr  Zr31  1  0.068091  0.691285  0.440895  1
  Zr  Zr32  1  0.097054  0.010325  0.385765  1
  Zr  Zr33  1  0.045659  0.829961  0.512252  1
  Zr  Zr34  1  0.018238  0.512330  0.568256  1
  Zr  Zr35  1  0.103891  0.213498  0.536106  1
  Zr  Zr36  1  0.074460  0.896210  0.591663  1
  Zr  Zr37  1  0.582863  0.942388  0.549972  1
  Zr  Zr38  1  0.611041  0.259448  0.495088  1
  Zr  Zr39  1  0.516411  0.466425  0.608635  1
  Zr  Zr40  1  0.538886  0.783814  0.552746  1
  Zr  Zr41  1  0.592000  0.283203  0.574129  1
  Zr  Zr42  1  0.616339  0.600512  0.518305  1
  Zr  Zr43  1  0.505863  0.125131  0.585971  1
  Zr  Zr44  1  0.532184  0.443140  0.530424  1
  Zr  Zr45  1  0.077450  0.352224  0.606777  1
  Zr  Zr46  1  0.105147  0.670315  0.551455  1
  Zr  Zr47  1  0.016170  0.055408  0.552357  1
  Zr  Zr48  1  0.042026  0.373621  0.496993  1
  Zr  Zr49  1  0.990364  0.195525  0.624064  1
  Zr  Zr50  1  0.934260  0.877126  0.681839  1
  Zr  Zr51  1  0.034745  0.576260  0.646533  1
  Zr  Zr52  1  0.987245  0.241284  0.701242  1
  Zr  Zr53  1  0.479372  0.306606  0.664648  1
  Zr  Zr54  1  0.540844  0.625450  0.606147  1
  Zr  Zr55  1  0.457240  0.856103  0.711321  1
  Zr  Zr56  1  0.507367  0.143232  0.664158  1
  Zr  Zr57  1  0.518915  0.648023  0.683083  1
  Zr  Zr58  1  0.562218  0.965774  0.627759  1
  Zr  Zr59  1  0.416219  0.483968  0.694586  1
  Zr  Zr60  1  0.462970  0.804779  0.641681  1
  Zr  Zr61  1  0.988880  0.715687  0.713092  1
  Zr  Zr62  1  0.052102  0.032930  0.662728  1
  Zr  Zr63  1  0.928380  0.418186  0.662956  1
  Zr  Zr64  1  0.976423  0.738671  0.607838  1
  Ni  Ni65  1  0.175184  0.632980  0.329692  1
  Ni  Ni66  1  0.127629  0.997372  0.288829  1
  Ni  Ni67  1  0.882395  0.672513  0.350704  1
  Ni  Ni68  1  0.820982  0.993095  0.296060  1
  Ni  Ni69  1  0.437317  0.276607  0.365796  1
  Ni  Ni70  1  0.469843  0.592907  0.309310  1
  Ni  Ni71  1  0.338763  0.272881  0.287503  1
  Ni  Ni72  1  0.979203  0.060250  0.331605  1
  Ni  Ni73  1  0.362853  0.199162  0.326544  1
  Ni  Ni74  1  0.337839  0.880979  0.379994  1
  Ni  Ni75  1  0.866085  0.128059  0.290281  1
  Ni  Ni76  1  0.791447  0.805300  0.344363  1
  Ni  Ni77  1  0.573234  0.458412  0.321084  1
  Ni  Ni78  1  0.529705  0.143833  0.372426  1
  Ni  Ni79  1  0.538622  0.135373  0.288753  1
  Ni  Ni80  1  0.469124  0.807544  0.341464  1
  Ni  Ni81  1  0.437983  0.674366  0.349223  1
  Ni  Ni82  1  0.462646  0.997757  0.293900  1
  Ni  Ni83  1  0.877241  0.277136  0.364615  1
  Ni  Ni84  1  0.910465  0.592270  0.309358  1
  Ni  Ni85  1  0.784107  0.344657  0.317327  1
  Ni  Ni86  1  0.770355  0.019475  0.377478  1
  Ni  Ni87  1  0.667053  0.256811  0.280607  1
  Ni  Ni88  1  0.553114  0.929966  0.336301  1
  Ni  Ni89  1  0.456555  0.340009  0.323305  1
  Ni  Ni90  1  0.428192  0.019773  0.375144  1
  Ni  Ni91  1  0.987230  0.261388  0.287735  1
  Ni  Ni92  1  0.883869  0.929432  0.338312  1
  Ni  Ni93  1  0.527501  0.386880  0.282893  1
  Ni  Ni94  1  0.296018  0.070553  0.331635  1
  Ni  Ni95  1  0.018921  0.189044  0.327110  1
  Ni  Ni96  1  0.997093  0.879662  0.380307  1
  Ni  Ni97  1  0.279215  0.417363  0.360451  1
  Ni  Ni98  1  0.304170  0.739548  0.305532  1
  Ni  Ni99  1  0.044975  0.532618  0.352941  1
  Ni  Ni100  1  0.055666  0.861636  0.298453  1
  Ni  Ni101  1  0.935825  0.414100  0.362816  1
  Ni  Ni102  1  0.964720  0.733197  0.306225  1
  Ni  Ni103  1  0.382576  0.535637  0.353821  1
  Ni  Ni104  1  0.383068  0.862854  0.296396  1
  Ni  Ni105  1  0.909160  0.456753  0.319304  1
  Ni  Ni106  1  0.856562  0.141448  0.371023  1
  Ni  Ni107  1  0.115950  0.998818  0.440934  1
  Ni  Ni108  1  0.140404  0.316928  0.385808  1
  Ni  Ni109  1  0.816689  0.038106  0.462155  1
  Ni  Ni110  1  0.844508  0.355534  0.407151  1
  Ni  Ni111  1  0.387349  0.641064  0.475248  1
  Ni  Ni112  1  0.415273  0.958689  0.419740  1
  Ni  Ni113  1  0.953904  0.749352  0.391163  1
  Ni  Ni114  1  0.924624  0.431186  0.447214  1
  Ni  Ni115  1  0.305753  0.566220  0.435109  1
  Ni  Ni116  1  0.280458  0.248236  0.490904  1
  Ni  Ni117  1  0.764158  0.490300  0.400711  1
  Ni  Ni118  1  0.735477  0.171915  0.455470  1
  Ni  Ni119  1  0.495697  0.824027  0.426138  1
  Ni  Ni120  1  0.467688  0.507085  0.482091  1
  Ni  Ni121  1  0.438948  0.489089  0.399199  1
  Ni  Ni122  1  0.411434  0.170828  0.454550  1
  Ni  Ni123  1  0.381809  0.038404  0.460653  1
  Ni  Ni124  1  0.407292  0.356734  0.406030  1
  Ni  Ni125  1  0.821305  0.640651  0.476602  1
  Ni  Ni126  1  0.851453  0.958451  0.421167  1
  Ni  Ni127  1  0.739108  0.703273  0.432777  1
  Ni  Ni128  1  0.713600  0.385870  0.488917  1
  Ni  Ni129  1  0.523522  0.610687  0.393344  1
  Ni  Ni130  1  0.492581  0.292126  0.448993  1
  Ni  Ni131  1  0.402966  0.700970  0.431376  1
  Ni  Ni132  1  0.375602  0.383660  0.487005  1
  Ni  Ni133  1  0.859526  0.613422  0.395318  1
  Ni  Ni134  1  0.829509  0.294772  0.450807  1
  Ni  Ni135  1  0.292151  0.753021  0.389973  1
  Ni  Ni136  1  0.262895  0.437770  0.445469  1
  Ni  Ni137  1  0.968523  0.559528  0.436467  1
  Ni  Ni138  1  0.942561  0.242018  0.492317  1
  Ni  Ni139  1  0.224673  0.779821  0.471660  1
  Ni  Ni140  1  0.253477  0.097687  0.416434  1
  Ni  Ni141  1  0.979125  0.899077  0.465128  1
  Ni  Ni142  1  0.005531  0.217252  0.409890  1
  Ni  Ni143  1  0.881881  0.778508  0.472707  1
  Ni  Ni144  1  0.908968  0.096954  0.417117  1
  Ni  Ni145  1  0.321395  0.900434  0.464290  1
  Ni  Ni146  1  0.349208  0.218885  0.410053  1
  Ni  Ni147  1  0.820532  0.825186  0.427879  1
  Ni  Ni148  1  0.792560  0.507913  0.483610  1
  Ni  Ni149  1  0.063603  0.362578  0.551661  1
  Ni  Ni150  1  0.087617  0.680589  0.496079  1
  Ni  Ni151  1  0.764509  0.402624  0.573230  1
  Ni  Ni152  1  0.788603  0.720286  0.517309  1
  Ni  Ni153  1  0.332451  0.005812  0.585844  1
  Ni  Ni154  1  0.362937  0.323202  0.530987  1
  Ni  Ni155  1  0.897378  0.113217  0.502518  1
  Ni  Ni156  1  0.869028  0.795259  0.557529  1
  Ni  Ni157  1  0.252972  0.930423  0.545669  1
  Ni  Ni158  1  0.212444  0.612647  0.601091  1
  Ni  Ni159  1  0.707024  0.854232  0.510676  1
  Ni  Ni160  1  0.679173  0.537150  0.566917  1
  Ni  Ni161  1  0.442788  0.189525  0.537813  1
  Ni  Ni162  1  0.412497  0.870489  0.591961  1
  Ni  Ni163  1  0.382278  0.853607  0.509134  1
  Ni  Ni164  1  0.353085  0.536036  0.565039  1
  Ni  Ni165  1  0.327549  0.402557  0.571729  1
  Ni  Ni166  1  0.353064  0.720882  0.515876  1
  Ni  Ni167  1  0.771020  0.004892  0.587142  1
  Ni  Ni168  1  0.795457  0.323088  0.532433  1
  Ni  Ni169  1  0.687422  0.068762  0.543967  1
  Ni  Ni170  1  0.647884  0.750429  0.599208  1
  Ni  Ni171  1  0.462952  0.975467  0.504145  1
  Ni  Ni172  1  0.434163  0.657938  0.559525  1
  Ni  Ni173  1  0.348980  0.066635  0.542324  1
  Ni  Ni174  1  0.311029  0.747984  0.597435  1
  Ni  Ni175  1  0.801640  0.977253  0.505927  1
  Ni  Ni176  1  0.770944  0.660236  0.561109  1
  Ni  Ni177  1  0.235602  0.119309  0.500847  1
  Ni  Ni178  1  0.206059  0.802041  0.556184  1
  Ni  Ni179  1  0.915302  0.923856  0.547464  1
  Ni  Ni180  1  0.872867  0.608284  0.602413  1
  Ni  Ni181  1  0.172264  0.144797  0.583526  1
  Ni  Ni182  1  0.198326  0.462517  0.527574  1
  Ni  Ni183  1  0.925444  0.263685  0.576439  1
  Ni  Ni184  1  0.950589  0.581452  0.520811  1
  Ni  Ni185  1  0.829231  0.143396  0.583588  1
  Ni  Ni186  1  0.855073  0.460994  0.528599  1
  Ni  Ni187  1  0.269558  0.264889  0.575838  1
  Ni  Ni188  1  0.293406  0.583217  0.519942  1
  Ni  Ni189  1  0.766195  0.190691  0.538941  1
  Ni  Ni190  1  0.738074  0.871544  0.593709  1
  Ni  Ni191  1  0.991695  0.726946  0.662886  1
  Ni  Ni192  1  0.036754  0.045236  0.607949  1
  Ni  Ni193  1  0.694304  0.765939  0.683543  1
  Ni  Ni194  1  0.741402  0.084550  0.627201  1
  Ni  Ni195  1  0.184969  0.367493  0.697772  1
  Ni  Ni196  1  0.284519  0.687033  0.641986  1
  Ni  Ni197  1  0.845150  0.478890  0.613539  1
  Ni  Ni198  1  0.830621  0.156496  0.667113  1
  Ni  Ni199  1  0.154430  0.292950  0.657468  1
  Ni  Ni200  1  0.849643  0.084427  0.705670  1
  Ni  Ni201  1  0.649283  0.221280  0.622927  1
  Ni  Ni202  1  0.599426  0.901570  0.671929  1
  Ni  Ni203  1  0.372934  0.552037  0.648529  1
  Ni  Ni204  1  0.322587  0.228043  0.701779  1
  Ni  Ni205  1  0.322185  0.218744  0.621470  1
  Ni  Ni206  1  0.265056  0.903123  0.673334  1
  Ni  Ni207  1  0.259058  0.766543  0.683812  1
  Ni  Ni208  1  0.304836  0.082357  0.628151  1
  Ni  Ni209  1  0.708837  0.365147  0.699590  1
  Ni  Ni210  1  0.728828  0.686342  0.643123  1
  Ni  Ni211  1  0.601492  0.428802  0.656138  1
  Ni  Ni212  1  0.519116  0.101961  0.711125  1
  Ni  Ni213  1  0.409002  0.341856  0.616359  1
  Ni  Ni214  1  0.394822  0.017498  0.675945  1
  Ni  Ni215  1  0.260791  0.429049  0.654147  1
  Ni  Ni216  1  0.190354  0.102782  0.706117  1
  Ni  Ni217  1  0.745884  0.344077  0.617815  1
  Ni  Ni218  1  0.722497  0.020145  0.669809  1
  Ni  Ni219  1  0.185715  0.482144  0.611879  1
  Ni  Ni220  1  0.178666  0.162908  0.665758  1
  Ni  Ni221  1  0.814217  0.287816  0.659723  1
  Ni  Ni222  1  0.658771  0.971993  0.710256  1
  Ni  Ni223  1  0.073733  0.510933  0.695342  1
  Ni  Ni224  1  0.126215  0.827657  0.640190  1
  Ni  Ni225  1  0.854621  0.623776  0.685894  1
  Ni  Ni226  1  0.899080  0.943120  0.632744  1
  Ni  Ni227  1  0.741374  0.506825  0.694687  1
  Ni  Ni228  1  0.788329  0.825214  0.639078  1
  Ni  Ni229  1  0.199425  0.625851  0.685944  1
  Ni  Ni230  1  0.242810  0.945583  0.629818  1
  Ni  Ni231  1  0.695530  0.551680  0.649964  1
  Ni  Ni232  1  0.658353  0.221259  0.703507  1
