# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48855544
_cell_length_b   10.66982906
_cell_length_c   48.20074809
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2
_chemical_formula_sum   'Cr48 Ni96'
_cell_volume   3851.31720398
_cell_formula_units_Z   48
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  1.000418  0.258647  0.279806  1
  Cr  Cr2  1  0.000418  0.682882  0.298478  1
  Cr  Cr3  1  0.000418  0.098786  0.317646  1
  Cr  Cr4  1  0.500418  0.474383  0.289478  1
  Cr  Cr5  1  0.500418  0.891414  0.307662  1
  Cr  Cr6  1  0.500418  0.310908  0.328650  1
  Cr  Cr7  1  0.000418  0.519190  0.337513  1
  Cr  Cr8  1  0.000418  0.934668  0.355957  1
  Cr  Cr9  1  0.000418  0.350895  0.374603  1
  Cr  Cr10  1  0.500418  0.726883  0.346523  1
  Cr  Cr11  1  0.500418  0.142655  0.365492  1
  Cr  Cr12  1  0.500418  0.558074  0.383473  1
  Cr  Cr13  1  1.000418  0.766205  0.392759  1
  Cr  Cr14  1  0.000418  0.182420  0.411391  1
  Cr  Cr15  1  1.000418  0.598776  0.429819  1
  Cr  Cr16  1  0.500418  0.974302  0.402135  1
  Cr  Cr17  1  0.500418  0.390590  0.420585  1
  Cr  Cr18  1  0.500418  0.806976  0.439118  1
  Cr  Cr19  1  1.000418  0.015086  0.448397  1
  Cr  Cr20  1  1.000418  0.431633  0.466942  1
  Cr  Cr21  1  1.000418  0.847786  0.485427  1
  Cr  Cr22  1  0.500418  0.223350  0.457673  1
  Cr  Cr23  1  0.500418  0.639739  0.476183  1
  Cr  Cr24  1  0.500418  0.055950  0.494685  1
  Cr  Cr25  1  0.000418  0.264216  0.503959  1
  Cr  Cr26  1  0.000418  0.680426  0.522461  1
  Cr  Cr27  1  1.000418  0.096815  0.540972  1
  Cr  Cr28  1  0.500418  0.472379  0.513218  1
  Cr  Cr29  1  0.500418  0.888532  0.531702  1
  Cr  Cr30  1  0.500418  0.305080  0.550248  1
  Cr  Cr31  1  0.000418  0.513190  0.559526  1
  Cr  Cr32  1  0.000418  0.929576  0.578059  1
  Cr  Cr33  1  0.000418  0.345863  0.596510  1
  Cr  Cr34  1  0.500418  0.721389  0.568825  1
  Cr  Cr35  1  0.500418  0.137746  0.587254  1
  Cr  Cr36  1  0.500418  0.553960  0.605886  1
  Cr  Cr37  1  1.000418  0.762091  0.615172  1
  Cr  Cr38  1  1.000418  0.177510  0.633152  1
  Cr  Cr39  1  0.000418  0.593283  0.652121  1
  Cr  Cr40  1  0.500418  0.969271  0.624041  1
  Cr  Cr41  1  0.500418  0.385498  0.642687  1
  Cr  Cr42  1  0.500418  0.800976  0.661132  1
  Cr  Cr43  1  1.000418  0.009257  0.669994  1
  Cr  Cr44  1  0.000418  0.428751  0.690983  1
  Cr  Cr45  1  1.000418  0.845782  0.709166  1
  Cr  Cr46  1  0.500418  0.221379  0.680999  1
  Cr  Cr47  1  0.500418  0.637283  0.700166  1
  Cr  Cr48  1  0.500418  0.061518  0.718838  1
  Ni  Ni49  1  0.168921  0.470760  0.291627  1
  Ni  Ni50  1  0.170068  0.890626  0.309771  1
  Ni  Ni51  1  0.170764  0.307866  0.328297  1
  Ni  Ni52  1  0.333400  0.262667  0.283209  1
  Ni  Ni53  1  0.330861  0.680650  0.300716  1
  Ni  Ni54  1  0.330026  0.098953  0.319195  1
  Ni  Ni55  1  0.667436  0.262667  0.283209  1
  Ni  Ni56  1  0.669976  0.680650  0.300716  1
  Ni  Ni57  1  0.670811  0.098953  0.319195  1
  Ni  Ni58  1  0.831916  0.470760  0.291627  1
  Ni  Ni59  1  0.830769  0.890626  0.309771  1
  Ni  Ni60  1  0.830073  0.307866  0.328297  1
  Ni  Ni61  1  0.171318  0.725297  0.346406  1
  Ni  Ni62  1  0.171466  0.141527  0.365040  1
  Ni  Ni63  1  0.172248  0.558427  0.383572  1
  Ni  Ni64  1  0.329304  0.516528  0.337285  1
  Ni  Ni65  1  0.329745  0.933079  0.355740  1
  Ni  Ni66  1  0.328362  0.349985  0.374429  1
  Ni  Ni67  1  0.671533  0.516528  0.337285  1
  Ni  Ni68  1  0.671092  0.933079  0.355740  1
  Ni  Ni69  1  0.672475  0.349985  0.374429  1
  Ni  Ni70  1  0.829519  0.725297  0.346406  1
  Ni  Ni71  1  0.829371  0.141527  0.365040  1
  Ni  Ni72  1  0.828589  0.558427  0.383572  1
  Ni  Ni73  1  0.172050  0.974295  0.402090  1
  Ni  Ni74  1  0.171987  0.390830  0.420701  1
  Ni  Ni75  1  0.171875  0.806939  0.439109  1
  Ni  Ni76  1  0.328861  0.766227  0.392777  1
  Ni  Ni77  1  0.328658  0.182507  0.411443  1
  Ni  Ni78  1  0.329034  0.598900  0.429857  1
  Ni  Ni79  1  0.671976  0.766227  0.392777  1
  Ni  Ni80  1  0.672179  0.182507  0.411443  1
  Ni  Ni81  1  0.671803  0.598900  0.429857  1
  Ni  Ni82  1  0.828787  0.974295  0.402090  1
  Ni  Ni83  1  0.828850  0.390830  0.420701  1
  Ni  Ni84  1  0.828962  0.806939  0.439109  1
  Ni  Ni85  1  0.171865  0.223356  0.457691  1
  Ni  Ni86  1  0.171910  0.639681  0.476157  1
  Ni  Ni87  1  0.171892  0.055968  0.494692  1
  Ni  Ni88  1  0.328911  0.015105  0.448415  1
  Ni  Ni89  1  0.328990  0.431571  0.466923  1
  Ni  Ni90  1  0.328904  0.847783  0.485426  1
  Ni  Ni91  1  0.671926  0.015105  0.448415  1
  Ni  Ni92  1  0.671847  0.431571  0.466923  1
  Ni  Ni93  1  0.671932  0.847783  0.485426  1
  Ni  Ni94  1  0.828972  0.223356  0.457691  1
  Ni  Ni95  1  0.828926  0.639681  0.476157  1
  Ni  Ni96  1  0.828945  0.055968  0.494692  1
  Ni  Ni97  1  0.171932  0.472383  0.513219  1
  Ni  Ni98  1  0.171847  0.888594  0.531722  1
  Ni  Ni99  1  0.171926  0.305061  0.550230  1
  Ni  Ni100  1  0.328945  0.264197  0.503952  1
  Ni  Ni101  1  0.328926  0.680484  0.522487  1
  Ni  Ni102  1  0.328972  0.096810  0.540954  1
  Ni  Ni103  1  0.671892  0.264197  0.503952  1
  Ni  Ni104  1  0.671910  0.680484  0.522487  1
  Ni  Ni105  1  0.671865  0.096810  0.540954  1
  Ni  Ni106  1  0.828904  0.472383  0.513219  1
  Ni  Ni107  1  0.828990  0.888594  0.531722  1
  Ni  Ni108  1  0.828911  0.305061  0.550230  1
  Ni  Ni109  1  0.171803  0.721266  0.568787  1
  Ni  Ni110  1  0.172179  0.137658  0.587202  1
  Ni  Ni111  1  0.171976  0.553938  0.605867  1
  Ni  Ni112  1  0.328962  0.513226  0.559535  1
  Ni  Ni113  1  0.328850  0.929336  0.577944  1
  Ni  Ni114  1  0.328787  0.345871  0.596554  1
  Ni  Ni115  1  0.671875  0.513226  0.559535  1
  Ni  Ni116  1  0.671987  0.929336  0.577944  1
  Ni  Ni117  1  0.672050  0.345871  0.596554  1
  Ni  Ni118  1  0.829034  0.721266  0.568787  1
  Ni  Ni119  1  0.828658  0.137658  0.587202  1
  Ni  Ni120  1  0.828861  0.553938  0.605867  1
  Ni  Ni121  1  0.172475  0.970181  0.624216  1
  Ni  Ni122  1  0.171092  0.387087  0.642904  1
  Ni  Ni123  1  0.171533  0.803638  0.661359  1
  Ni  Ni124  1  0.328589  0.761739  0.615073  1
  Ni  Ni125  1  0.329371  0.178638  0.633605  1
  Ni  Ni126  1  0.329519  0.594868  0.652239  1
  Ni  Ni127  1  0.672248  0.761739  0.615073  1
  Ni  Ni128  1  0.671466  0.178638  0.633605  1
  Ni  Ni129  1  0.671318  0.594868  0.652239  1
  Ni  Ni130  1  0.828362  0.970181  0.624216  1
  Ni  Ni131  1  0.829745  0.387087  0.642904  1
  Ni  Ni132  1  0.829304  0.803638  0.661359  1
  Ni  Ni133  1  0.170811  0.221213  0.679450  1
  Ni  Ni134  1  0.169976  0.639516  0.697929  1
  Ni  Ni135  1  0.167436  0.057498  0.715436  1
  Ni  Ni136  1  0.330073  0.012300  0.670348  1
  Ni  Ni137  1  0.330769  0.429540  0.688873  1
  Ni  Ni138  1  0.331916  0.849405  0.707018  1
  Ni  Ni139  1  0.670764  0.012300  0.670348  1
  Ni  Ni140  1  0.670068  0.429540  0.688873  1
  Ni  Ni141  1  0.668921  0.849405  0.707018  1
  Ni  Ni142  1  0.830026  0.221213  0.679450  1
  Ni  Ni143  1  0.830861  0.639516  0.697929  1
  Ni  Ni144  1  0.833400  0.057498  0.715436  1
