# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.92440177
_cell_length_b   15.17930295
_cell_length_c   47.36748257
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.97871731
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2
_chemical_formula_sum   'Cr72 Ni144'
_cell_volume   5689.76776889
_cell_formula_units_Z   72
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
  Cr  Cr1  1  0.869003  0.340430  0.324222  1
  Cr  Cr2  1  0.478161  0.857838  0.273829  1
  Cr  Cr3  1  0.409856  0.351238  0.297488  1
  Cr  Cr4  1  0.901100  0.850754  0.296698  1
  Cr  Cr5  1  0.120305  0.590139  0.324327  1
  Cr  Cr6  1  0.726895  0.106880  0.273789  1
  Cr  Cr7  1  0.659270  0.601160  0.297622  1
  Cr  Cr8  1  0.151092  0.101021  0.296576  1
  Cr  Cr9  1  0.767996  0.314184  0.374206  1
  Cr  Cr10  1  0.369953  0.839484  0.324898  1
  Cr  Cr11  1  0.316752  0.325878  0.348717  1
  Cr  Cr12  1  0.814459  0.826214  0.348825  1
  Cr  Cr13  1  0.020067  0.564054  0.374461  1
  Cr  Cr14  1  0.618424  0.089754  0.324776  1
  Cr  Cr15  1  0.564551  0.576029  0.348841  1
  Cr  Cr16  1  0.066413  0.076123  0.348696  1
  Cr  Cr17  1  0.668828  0.289028  0.424236  1
  Cr  Cr18  1  0.269148  0.813997  0.374560  1
  Cr  Cr19  1  0.218006  0.301311  0.399053  1
  Cr  Cr20  1  0.717649  0.801335  0.399236  1
  Cr  Cr21  1  0.919386  0.538974  0.424344  1
  Cr  Cr22  1  0.517140  0.064158  0.374311  1
  Cr  Cr23  1  0.467109  0.551289  0.399138  1
  Cr  Cr24  1  0.968447  0.051396  0.399153  1
  Cr  Cr25  1  0.570316  0.264129  0.474287  1
  Cr  Cr26  1  0.169044  0.789071  0.424374  1
  Cr  Cr27  1  0.119618  0.276538  0.449226  1
  Cr  Cr28  1  0.619556  0.776547  0.449315  1
  Cr  Cr29  1  0.820395  0.514114  0.474314  1
  Cr  Cr30  1  0.418542  0.039135  0.424272  1
  Cr  Cr31  1  0.369427  0.526499  0.449269  1
  Cr  Cr32  1  0.869716  0.026600  0.449275  1
  Cr  Cr33  1  0.471863  0.239259  0.524340  1
  Cr  Cr34  1  0.070290  0.764199  0.474347  1
  Cr  Cr35  1  0.021017  0.251710  0.499312  1
  Cr  Cr36  1  0.521083  0.751762  0.499350  1
  Cr  Cr37  1  0.721802  0.489277  0.524316  1
  Cr  Cr38  1  0.320228  0.014216  0.474322  1
  Cr  Cr39  1  0.271009  0.501714  0.499313  1
  Cr  Cr40  1  0.771075  0.001765  0.499351  1
  Cr  Cr41  1  0.373550  0.214341  0.574391  1
  Cr  Cr42  1  0.971697  0.739361  0.524349  1
  Cr  Cr43  1  0.922376  0.226875  0.549388  1
  Cr  Cr44  1  0.422664  0.726977  0.549393  1
  Cr  Cr45  1  0.623047  0.464404  0.574288  1
  Cr  Cr46  1  0.221776  0.989346  0.524376  1
  Cr  Cr47  1  0.172536  0.476929  0.549347  1
  Cr  Cr48  1  0.672474  0.976937  0.549436  1
  Cr  Cr49  1  0.274951  0.189318  0.624352  1
  Cr  Cr50  1  0.872706  0.714501  0.574318  1
  Cr  Cr51  1  0.823644  0.202079  0.599510  1
  Cr  Cr52  1  0.324983  0.702186  0.599525  1
  Cr  Cr53  1  0.522944  0.439478  0.624103  1
  Cr  Cr54  1  0.123264  0.964447  0.574427  1
  Cr  Cr55  1  0.074443  0.452140  0.599427  1
  Cr  Cr56  1  0.574086  0.952164  0.599610  1
  Cr  Cr57  1  0.173668  0.163721  0.673886  1
  Cr  Cr58  1  0.772025  0.689421  0.624202  1
  Cr  Cr59  1  0.725679  0.177352  0.649967  1
  Cr  Cr60  1  0.227540  0.677447  0.649822  1
  Cr  Cr61  1  0.422139  0.413991  0.673765  1
  Cr  Cr62  1  0.024095  0.939291  0.624457  1
  Cr  Cr63  1  0.977633  0.427261  0.649837  1
  Cr  Cr64  1  0.475339  0.927598  0.649946  1
  Cr  Cr65  1  0.065197  0.146595  0.724874  1
  Cr  Cr66  1  0.671786  0.663336  0.674336  1
  Cr  Cr67  1  0.641000  0.152455  0.702087  1
  Cr  Cr68  1  0.132822  0.652315  0.701041  1
  Cr  Cr69  1  0.313930  0.395637  0.724834  1
  Cr  Cr70  1  0.923089  0.913045  0.674440  1
  Cr  Cr71  1  0.890992  0.402722  0.701965  1
  Cr  Cr72  1  0.382236  0.902237  0.701175  1
  Ni  Ni73  1  0.197224  0.768596  0.283952  1
  Ni  Ni74  1  0.702275  0.273514  0.283858  1
  Ni  Ni75  1  0.648889  0.760437  0.308642  1
  Ni  Ni76  1  0.143923  0.262705  0.307028  1
  Ni  Ni77  1  0.933709  0.685523  0.292139  1
  Ni  Ni78  1  0.431988  0.188316  0.291461  1
  Ni  Ni79  1  0.381152  0.678927  0.316099  1
  Ni  Ni80  1  0.880574  0.178287  0.316891  1
  Ni  Ni81  1  0.950223  0.517878  0.284340  1
  Ni  Ni82  1  0.445175  0.023624  0.283705  1
  Ni  Ni83  1  0.393686  0.512846  0.307157  1
  Ni  Ni84  1  0.898747  0.010109  0.308549  1
  Ni  Ni85  1  0.130710  0.427246  0.316697  1
  Ni  Ni86  1  0.631000  0.929828  0.316422  1
  Ni  Ni87  1  0.682497  0.438482  0.292022  1
  Ni  Ni88  1  0.181561  0.935345  0.291684  1
  Ni  Ni89  1  0.095976  0.751624  0.333318  1
  Ni  Ni90  1  0.598250  0.249769  0.332550  1
  Ni  Ni91  1  0.550671  0.735611  0.357828  1
  Ni  Ni92  1  0.051240  0.236343  0.357302  1
  Ni  Ni93  1  0.833166  0.665321  0.341253  1
  Ni  Ni94  1  0.330303  0.165487  0.340393  1
  Ni  Ni95  1  0.283326  0.654116  0.366017  1
  Ni  Ni96  1  0.783700  0.154043  0.366230  1
  Ni  Ni97  1  0.847315  0.501449  0.333555  1
  Ni  Ni98  1  0.346440  0.999844  0.332484  1
  Ni  Ni99  1  0.301028  0.485948  0.357343  1
  Ni  Ni100  1  0.800813  0.985980  0.357815  1
  Ni  Ni101  1  0.033614  0.403968  0.366123  1
  Ni  Ni102  1  0.533435  0.904150  0.366183  1
  Ni  Ni103  1  0.581787  0.415734  0.340839  1
  Ni  Ni104  1  0.081597  0.915036  0.340904  1
  Ni  Ni105  1  1.000521  0.724260  0.382633  1
  Ni  Ni106  1  0.500410  0.224204  0.382315  1
  Ni  Ni107  1  0.452106  0.711322  0.407598  1
  Ni  Ni108  1  0.952225  0.211580  0.407392  1
  Ni  Ni109  1  0.734367  0.640844  0.391049  1
  Ni  Ni110  1  0.234079  0.141196  0.390805  1
  Ni  Ni111  1  0.185196  0.628941  0.416162  1
  Ni  Ni112  1  0.684984  0.128882  0.416073  1
  Ni  Ni113  1  0.750462  0.474217  0.382616  1
  Ni  Ni114  1  0.250354  0.974221  0.382400  1
  Ni  Ni115  1  0.202314  0.461321  0.407443  1
  Ni  Ni116  1  0.702006  0.961560  0.407561  1
  Ni  Ni117  1  0.935077  0.378826  0.416076  1
  Ni  Ni118  1  0.435092  0.878980  0.416175  1
  Ni  Ni119  1  0.484138  0.391045  0.390909  1
  Ni  Ni120  1  0.984257  0.891005  0.390976  1
  Ni  Ni121  1  0.902501  0.699196  0.432532  1
  Ni  Ni122  1  0.402476  0.199271  0.432415  1
  Ni  Ni123  1  0.353500  0.686711  0.457561  1
  Ni  Ni124  1  0.853470  0.186765  0.457471  1
  Ni  Ni125  1  0.635746  0.616257  0.441073  1
  Ni  Ni126  1  0.135757  0.116425  0.441010  1
  Ni  Ni127  1  0.086516  0.603989  0.466144  1
  Ni  Ni128  1  0.586460  0.103973  0.466092  1
  Ni  Ni129  1  0.652442  0.449202  0.432473  1
  Ni  Ni130  1  0.152507  0.949260  0.432492  1
  Ni  Ni131  1  0.103524  0.436668  0.457489  1
  Ni  Ni132  1  0.603444  0.936797  0.457546  1
  Ni  Ni133  1  0.836478  0.353934  0.466083  1
  Ni  Ni134  1  0.336491  0.854022  0.466155  1
  Ni  Ni135  1  0.385738  0.366296  0.441019  1
  Ni  Ni136  1  0.885748  0.866389  0.441073  1
  Ni  Ni137  1  0.804100  0.674331  0.482524  1
  Ni  Ni138  1  0.304112  0.174371  0.482504  1
  Ni  Ni139  1  0.254891  0.661947  0.507559  1
  Ni  Ni140  1  0.754877  0.161911  0.507549  1
  Ni  Ni141  1  0.537201  0.591528  0.491104  1
  Ni  Ni142  1  0.037214  0.091564  0.491114  1
  Ni  Ni143  1  0.987992  0.579145  0.516139  1
  Ni  Ni144  1  0.487980  0.079104  0.516159  1
  Ni  Ni145  1  0.554103  0.424312  0.482490  1
  Ni  Ni146  1  0.054103  0.924390  0.482542  1
  Ni  Ni147  1  0.004896  0.411884  0.507530  1
  Ni  Ni148  1  0.504875  0.911970  0.507576  1
  Ni  Ni149  1  0.737988  0.329085  0.516120  1
  Ni  Ni150  1  0.237988  0.829164  0.516173  1
  Ni  Ni151  1  0.287217  0.341505  0.491086  1
  Ni  Ni152  1  0.787196  0.841591  0.491133  1
  Ni  Ni153  1  0.705575  0.649487  0.532519  1
  Ni  Ni154  1  0.205632  0.149502  0.532570  1
  Ni  Ni155  1  0.156346  0.637219  0.557590  1
  Ni  Ni156  1  0.656334  0.137051  0.557653  1
  Ni  Ni157  1  0.438592  0.566764  0.541102  1
  Ni  Ni158  1  0.938622  0.066710  0.541192  1
  Ni  Ni159  1  0.889591  0.554279  0.566131  1
  Ni  Ni160  1  0.389616  0.054205  0.566247  1
  Ni  Ni161  1  0.455601  0.399453  0.532508  1
  Ni  Ni162  1  0.955614  0.899541  0.532580  1
  Ni  Ni163  1  0.906344  0.387086  0.557590  1
  Ni  Ni164  1  0.406354  0.887179  0.557643  1
  Ni  Ni165  1  0.639584  0.304216  0.566170  1
  Ni  Ni166  1  0.139649  0.804273  0.566190  1
  Ni  Ni167  1  0.188648  0.316678  0.541117  1
  Ni  Ni168  1  0.688568  0.816807  0.541173  1
  Ni  Ni169  1  0.606896  0.624534  0.582501  1
  Ni  Ni170  1  0.107108  0.124593  0.582589  1
  Ni  Ni171  1  0.057725  0.612632  0.607614  1
  Ni  Ni172  1  0.558013  0.112279  0.607858  1
  Ni  Ni173  1  0.339986  0.542153  0.591065  1
  Ni  Ni174  1  0.839867  0.041896  0.591270  1
  Ni  Ni175  1  0.791570  0.529216  0.616029  1
  Ni  Ni176  1  0.291682  0.029271  0.616347  1
  Ni  Ni177  1  0.357000  0.374496  0.582488  1
  Ni  Ni178  1  0.857015  0.874650  0.582587  1
  Ni  Ni179  1  0.807835  0.362470  0.607687  1
  Ni  Ni180  1  0.307954  0.862430  0.607754  1
  Ni  Ni181  1  0.541738  0.279255  0.616262  1
  Ni  Ni182  1  0.041630  0.779259  0.616047  1
  Ni  Ni183  1  0.090086  0.291915  0.591102  1
  Ni  Ni184  1  0.589778  0.792154  0.591220  1
  Ni  Ni185  1  0.508766  0.599359  0.632645  1
  Ni  Ni186  1  0.008392  0.099432  0.632432  1
  Ni  Ni187  1  0.958926  0.588155  0.657409  1
  Ni  Ni188  1  0.461788  0.087989  0.658270  1
  Ni  Ni189  1  0.241421  0.517864  0.640834  1
  Ni  Ni190  1  0.740852  0.017132  0.641361  1
  Ni  Ni191  1  0.696116  0.501851  0.665344  1
  Ni  Ni192  1  0.193841  0.003707  0.666113  1
  Ni  Ni193  1  0.258657  0.349325  0.632480  1
  Ni  Ni194  1  0.758478  0.849508  0.632540  1
  Ni  Ni195  1  0.710495  0.338439  0.657759  1
  Ni  Ni196  1  0.210305  0.837741  0.657823  1
  Ni  Ni197  1  0.445652  0.253631  0.666178  1
  Ni  Ni198  1  0.944776  0.752026  0.665107  1
  Ni  Ni199  1  0.991279  0.267496  0.640848  1
  Ni  Ni200  1  0.491064  0.767527  0.641320  1
  Ni  Ni201  1  0.410939  0.574548  0.682564  1
  Ni  Ni202  1  0.911518  0.075188  0.681772  1
  Ni  Ni203  1  0.858383  0.567952  0.706524  1
  Ni  Ni204  1  0.360103  0.065159  0.707201  1
  Ni  Ni205  1  0.143203  0.493039  0.690021  1
  Ni  Ni206  1  0.648169  0.990771  0.691635  1
  Ni  Ni207  1  0.594868  0.484880  0.714710  1
  Ni  Ni208  1  0.089816  0.979961  0.714805  1
  Ni  Ni209  1  0.161092  0.323648  0.682240  1
  Ni  Ni210  1  0.661381  0.826229  0.681965  1
  Ni  Ni211  1  0.610531  0.318131  0.706979  1
  Ni  Ni212  1  0.109595  0.814993  0.706640  1
  Ni  Ni213  1  0.346917  0.229851  0.714957  1
  Ni  Ni214  1  0.841869  0.735597  0.714322  1
  Ni  Ni215  1  0.893345  0.243366  0.690114  1
  Ni  Ni216  1  0.398406  0.740629  0.691505  1
