# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.25298558
_cell_length_b   15.32071776
_cell_length_c   47.55160696
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.63813195
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2
_chemical_formula_sum   'Cr72 Ni144'
_cell_volume   5274.88617807
_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  0.096359  0.356493  0.286279  1
  Cr  Cr2  1  0.596359  0.856493  0.286279  1
  Cr  Cr3  1  0.517851  0.341990  0.309879  1
  Cr  Cr4  1  0.017851  0.841990  0.309879  1
  Cr  Cr5  1  0.767851  0.591990  0.309879  1
  Cr  Cr6  1  0.267851  0.091990  0.309879  1
  Cr  Cr7  1  0.346359  0.606493  0.286279  1
  Cr  Cr8  1  0.846359  0.106493  0.286279  1
  Cr  Cr9  1  0.963810  0.331538  0.335487  1
  Cr  Cr10  1  0.463810  0.831538  0.335487  1
  Cr  Cr11  1  0.403770  0.319117  0.360520  1
  Cr  Cr12  1  0.903770  0.819117  0.360520  1
  Cr  Cr13  1  0.653770  0.569117  0.360520  1
  Cr  Cr14  1  0.153770  0.069117  0.360520  1
  Cr  Cr15  1  0.213810  0.581538  0.335487  1
  Cr  Cr16  1  0.713810  0.081538  0.335487  1
  Cr  Cr17  1  0.840186  0.306059  0.385212  1
  Cr  Cr18  1  0.340186  0.806059  0.385212  1
  Cr  Cr19  1  0.280167  0.294036  0.410599  1
  Cr  Cr20  1  0.780167  0.794036  0.410599  1
  Cr  Cr21  1  0.530167  0.544036  0.410599  1
  Cr  Cr22  1  0.030167  0.044036  0.410599  1
  Cr  Cr23  1  0.090186  0.556059  0.385212  1
  Cr  Cr24  1  0.590186  0.056059  0.385212  1
  Cr  Cr25  1  0.717650  0.281209  0.435543  1
  Cr  Cr26  1  0.217650  0.781209  0.435543  1
  Cr  Cr27  1  0.156291  0.268960  0.460693  1
  Cr  Cr28  1  0.656291  0.768960  0.460693  1
  Cr  Cr29  1  0.406291  0.518960  0.460693  1
  Cr  Cr30  1  0.906291  0.018960  0.460693  1
  Cr  Cr31  1  0.967650  0.531209  0.435543  1
  Cr  Cr32  1  0.467650  0.031209  0.435543  1
  Cr  Cr33  1  0.594872  0.256507  0.485820  1
  Cr  Cr34  1  0.094872  0.756507  0.485820  1
  Cr  Cr35  1  0.032939  0.244028  0.510860  1
  Cr  Cr36  1  0.532939  0.744028  0.510860  1
  Cr  Cr37  1  0.282939  0.494028  0.510860  1
  Cr  Cr38  1  0.782939  0.994028  0.510860  1
  Cr  Cr39  1  0.844872  0.506507  0.485820  1
  Cr  Cr40  1  0.344872  0.006507  0.485820  1
  Cr  Cr41  1  0.471520  0.231576  0.535987  1
  Cr  Cr42  1  0.971520  0.731576  0.535987  1
  Cr  Cr43  1  0.910161  0.219326  0.561137  1
  Cr  Cr44  1  0.410161  0.719326  0.561137  1
  Cr  Cr45  1  0.160161  0.469326  0.561137  1
  Cr  Cr46  1  0.660161  0.969326  0.561137  1
  Cr  Cr47  1  0.721520  0.481576  0.535987  1
  Cr  Cr48  1  0.221520  0.981576  0.535987  1
  Cr  Cr49  1  0.347644  0.206500  0.586080  1
  Cr  Cr50  1  0.847644  0.706500  0.586080  1
  Cr  Cr51  1  0.787625  0.194477  0.611468  1
  Cr  Cr52  1  0.287625  0.694477  0.611468  1
  Cr  Cr53  1  0.037625  0.444477  0.611468  1
  Cr  Cr54  1  0.537625  0.944477  0.611468  1
  Cr  Cr55  1  0.597644  0.456500  0.586080  1
  Cr  Cr56  1  0.097644  0.956500  0.586080  1
  Cr  Cr57  1  0.224041  0.181418  0.636160  1
  Cr  Cr58  1  0.724041  0.681418  0.636160  1
  Cr  Cr59  1  0.664001  0.168998  0.661193  1
  Cr  Cr60  1  0.164001  0.668998  0.661193  1
  Cr  Cr61  1  0.914001  0.418998  0.661193  1
  Cr  Cr62  1  0.414001  0.918998  0.661193  1
  Cr  Cr63  1  0.474041  0.431418  0.636160  1
  Cr  Cr64  1  0.974041  0.931418  0.636160  1
  Cr  Cr65  1  0.109960  0.158546  0.686801  1
  Cr  Cr66  1  0.609960  0.658546  0.686801  1
  Cr  Cr67  1  0.531452  0.144042  0.710400  1
  Cr  Cr68  1  0.031452  0.644042  0.710400  1
  Cr  Cr69  1  0.781452  0.394042  0.710400  1
  Cr  Cr70  1  0.281452  0.894042  0.710400  1
  Cr  Cr71  1  0.359960  0.408546  0.686801  1
  Cr  Cr72  1  0.859960  0.908546  0.686801  1
  Ni  Ni73  1  0.751961  0.754726  0.320117  1
  Ni  Ni74  1  0.251961  0.254726  0.320117  1
  Ni  Ni75  1  0.315773  0.767657  0.294620  1
  Ni  Ni76  1  0.815773  0.267657  0.294620  1
  Ni  Ni77  1  0.040404  0.679711  0.302198  1
  Ni  Ni78  1  0.540404  0.179711  0.302198  1
  Ni  Ni79  1  0.611073  0.697595  0.279050  1
  Ni  Ni80  1  0.111073  0.197595  0.279050  1
  Ni  Ni81  1  0.065773  0.517657  0.294620  1
  Ni  Ni82  1  0.565773  0.017657  0.294620  1
  Ni  Ni83  1  0.501961  0.504726  0.320117  1
  Ni  Ni84  1  1.001961  0.004726  0.320117  1
  Ni  Ni85  1  0.790404  0.429711  0.302198  1
  Ni  Ni86  1  0.290404  0.929711  0.302198  1
  Ni  Ni87  1  0.361073  0.447595  0.279050  1
  Ni  Ni88  1  0.861073  0.947595  0.279050  1
  Ni  Ni89  1  0.632453  0.730847  0.369175  1
  Ni  Ni90  1  0.132453  0.230847  0.369175  1
  Ni  Ni91  1  0.191124  0.742823  0.343360  1
  Ni  Ni92  1  0.691124  0.242823  0.343360  1
  Ni  Ni93  1  0.921580  0.656110  0.351778  1
  Ni  Ni94  1  0.421580  0.156110  0.351778  1
  Ni  Ni95  1  0.482808  0.669995  0.327805  1
  Ni  Ni96  1  0.982808  0.169995  0.327805  1
  Ni  Ni97  1  0.941124  0.492823  0.343360  1
  Ni  Ni98  1  0.441124  0.992823  0.343360  1
  Ni  Ni99  1  0.382453  0.480847  0.369175  1
  Ni  Ni100  1  0.882453  0.980847  0.369175  1
  Ni  Ni101  1  0.671580  0.406110  0.351778  1
  Ni  Ni102  1  0.171580  0.906110  0.351778  1
  Ni  Ni103  1  0.232808  0.419995  0.327805  1
  Ni  Ni104  1  0.732808  0.919995  0.327805  1
  Ni  Ni105  1  0.508858  0.705699  0.418954  1
  Ni  Ni106  1  0.008858  0.205699  0.418954  1
  Ni  Ni107  1  0.070059  0.717745  0.393596  1
  Ni  Ni108  1  0.570059  0.217745  0.393596  1
  Ni  Ni109  1  0.800285  0.632034  0.402320  1
  Ni  Ni110  1  0.300285  0.132034  0.402320  1
  Ni  Ni111  1  0.361138  0.644614  0.377233  1
  Ni  Ni112  1  0.861138  0.144614  0.377233  1
  Ni  Ni113  1  0.820059  0.467745  0.393596  1
  Ni  Ni114  1  0.320059  0.967745  0.393596  1
  Ni  Ni115  1  0.258858  0.455699  0.418954  1
  Ni  Ni116  1  0.758858  0.955699  0.418954  1
  Ni  Ni117  1  0.550285  0.382034  0.402320  1
  Ni  Ni118  1  0.050285  0.882034  0.402320  1
  Ni  Ni119  1  0.111138  0.394614  0.377233  1
  Ni  Ni120  1  0.611138  0.894614  0.377233  1
  Ni  Ni121  1  0.385665  0.680658  0.469020  1
  Ni  Ni122  1  0.885665  0.180658  0.469020  1
  Ni  Ni123  1  0.947605  0.693169  0.443964  1
  Ni  Ni124  1  0.447605  0.193169  0.443964  1
  Ni  Ni125  1  0.676857  0.607171  0.452441  1
  Ni  Ni126  1  0.176857  0.107171  0.452441  1
  Ni  Ni127  1  0.237936  0.619434  0.427217  1
  Ni  Ni128  1  0.737936  0.119434  0.427217  1
  Ni  Ni129  1  0.697605  0.443169  0.443964  1
  Ni  Ni130  1  0.197605  0.943169  0.443964  1
  Ni  Ni131  1  0.135665  0.430658  0.469020  1
  Ni  Ni132  1  0.635665  0.930658  0.469020  1
  Ni  Ni133  1  0.426857  0.357171  0.452441  1
  Ni  Ni134  1  0.926857  0.857171  0.452441  1
  Ni  Ni135  1  0.987936  0.369434  0.427217  1
  Ni  Ni136  1  0.487936  0.869434  0.427217  1
  Ni  Ni137  1  0.262733  0.655873  0.519229  1
  Ni  Ni138  1  0.762733  0.155873  0.519229  1
  Ni  Ni139  1  0.824340  0.668324  0.494126  1
  Ni  Ni140  1  0.324340  0.168324  0.494126  1
  Ni  Ni141  1  0.553471  0.582211  0.502554  1
  Ni  Ni142  1  0.053471  0.082211  0.502554  1
  Ni  Ni143  1  0.115078  0.594662  0.477450  1
  Ni  Ni144  1  0.615078  0.094662  0.477450  1
  Ni  Ni145  1  0.574340  0.418324  0.494126  1
  Ni  Ni146  1  0.074340  0.918324  0.494126  1
  Ni  Ni147  1  0.012733  0.405873  0.519229  1
  Ni  Ni148  1  0.512733  0.905873  0.519229  1
  Ni  Ni149  1  0.303471  0.332211  0.502554  1
  Ni  Ni150  1  0.803471  0.832211  0.502554  1
  Ni  Ni151  1  0.865078  0.344662  0.477450  1
  Ni  Ni152  1  0.365078  0.844662  0.477450  1
  Ni  Ni153  1  0.139875  0.631101  0.569463  1
  Ni  Ni154  1  0.639875  0.131101  0.569463  1
  Ni  Ni155  1  0.700954  0.643364  0.544238  1
  Ni  Ni156  1  0.200954  0.143364  0.544238  1
  Ni  Ni157  1  0.430206  0.557367  0.552716  1
  Ni  Ni158  1  0.930206  0.057367  0.552716  1
  Ni  Ni159  1  0.992146  0.569878  0.527660  1
  Ni  Ni160  1  0.492146  0.069878  0.527660  1
  Ni  Ni161  1  0.450954  0.393364  0.544238  1
  Ni  Ni162  1  0.950954  0.893364  0.544238  1
  Ni  Ni163  1  0.889875  0.381101  0.569463  1
  Ni  Ni164  1  0.389875  0.881101  0.569463  1
  Ni  Ni165  1  0.180206  0.307367  0.552716  1
  Ni  Ni166  1  0.680206  0.807367  0.552716  1
  Ni  Ni167  1  0.742146  0.319878  0.527660  1
  Ni  Ni168  1  0.242146  0.819878  0.527660  1
  Ni  Ni169  1  0.016673  0.605922  0.619447  1
  Ni  Ni170  1  0.516673  0.105922  0.619447  1
  Ni  Ni171  1  0.577526  0.618501  0.594360  1
  Ni  Ni172  1  0.077526  0.118501  0.594360  1
  Ni  Ni173  1  0.307752  0.532791  0.603084  1
  Ni  Ni174  1  0.807752  0.032791  0.603084  1
  Ni  Ni175  1  0.868953  0.544837  0.577726  1
  Ni  Ni176  1  0.368953  0.044837  0.577726  1
  Ni  Ni177  1  0.327526  0.368501  0.594360  1
  Ni  Ni178  1  0.827526  0.868501  0.594360  1
  Ni  Ni179  1  0.766673  0.355922  0.619447  1
  Ni  Ni180  1  0.266673  0.855922  0.619447  1
  Ni  Ni181  1  0.057752  0.282791  0.603084  1
  Ni  Ni182  1  0.557752  0.782791  0.603084  1
  Ni  Ni183  1  0.618953  0.294837  0.577726  1
  Ni  Ni184  1  0.118953  0.794837  0.577726  1
  Ni  Ni185  1  0.895003  0.580540  0.668875  1
  Ni  Ni186  1  0.395003  0.080540  0.668875  1
  Ni  Ni187  1  0.456231  0.594426  0.644901  1
  Ni  Ni188  1  0.956231  0.094426  0.644901  1
  Ni  Ni189  1  0.186687  0.507713  0.653320  1
  Ni  Ni190  1  0.686687  0.007713  0.653320  1
  Ni  Ni191  1  0.745358  0.519689  0.627505  1
  Ni  Ni192  1  0.245358  0.019689  0.627505  1
  Ni  Ni193  1  0.206231  0.344426  0.644901  1
  Ni  Ni194  1  0.706231  0.844426  0.644901  1
  Ni  Ni195  1  0.645003  0.330540  0.668875  1
  Ni  Ni196  1  0.145003  0.830540  0.668875  1
  Ni  Ni197  1  0.936687  0.257713  0.653320  1
  Ni  Ni198  1  0.436687  0.757713  0.653320  1
  Ni  Ni199  1  0.495358  0.269689  0.627505  1
  Ni  Ni200  1  0.995358  0.769689  0.627505  1
  Ni  Ni201  1  0.766738  0.552940  0.717629  1
  Ni  Ni202  1  0.266738  0.052940  0.717629  1
  Ni  Ni203  1  0.337407  0.570825  0.694482  1
  Ni  Ni204  1  0.837407  0.070825  0.694482  1
  Ni  Ni205  1  0.062038  0.482879  0.702060  1
  Ni  Ni206  1  0.562038  0.982879  0.702060  1
  Ni  Ni207  1  0.625850  0.495810  0.676562  1
  Ni  Ni208  1  0.125850  0.995810  0.676562  1
  Ni  Ni209  1  0.087407  0.320825  0.694482  1
  Ni  Ni210  1  0.587407  0.820825  0.694482  1
  Ni  Ni211  1  0.516738  0.302940  0.717629  1
  Ni  Ni212  1  0.016738  0.802940  0.717629  1
  Ni  Ni213  1  0.812038  0.232879  0.702060  1
  Ni  Ni214  1  0.312038  0.732879  0.702060  1
  Ni  Ni215  1  0.375850  0.245810  0.676562  1
  Ni  Ni216  1  0.875850  0.745810  0.676562  1
