# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.54541514
_cell_length_b   7.90017557
_cell_length_c   46.89466713
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.01440270
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2
_chemical_formula_sum   'Cr54 Ni108'
_cell_volume   4266.95599237
_cell_formula_units_Z   54
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  0.776737  0.451895  0.274735  1
  Cr  Cr2  1  0.075641  0.432310  0.290279  1
  Cr  Cr3  1  0.405736  0.395416  0.308496  1
  Cr  Cr4  1  0.928493  0.932763  0.282355  1
  Cr  Cr5  1  0.247822  0.908558  0.299603  1
  Cr  Cr6  1  0.561176  0.881805  0.315879  1
  Cr  Cr7  1  0.725320  0.364472  0.326003  1
  Cr  Cr8  1  0.041825  0.331531  0.341877  1
  Cr  Cr9  1  0.362671  0.298326  0.358933  1
  Cr  Cr10  1  0.883972  0.847779  0.334331  1
  Cr  Cr11  1  0.203580  0.814308  0.350405  1
  Cr  Cr12  1  0.521727  0.782155  0.366970  1
  Cr  Cr13  1  0.681885  0.265093  0.375800  1
  Cr  Cr14  1  1.000342  0.233002  0.392312  1
  Cr  Cr15  1  0.319222  0.200325  0.408971  1
  Cr  Cr16  1  0.840548  0.749264  0.384106  1
  Cr  Cr17  1  0.160102  0.716589  0.400656  1
  Cr  Cr18  1  0.478614  0.684151  0.417250  1
  Cr  Cr19  1  0.638150  0.167732  0.425687  1
  Cr  Cr20  1  0.957376  0.135359  0.442385  1
  Cr  Cr21  1  0.276323  0.102839  0.459035  1
  Cr  Cr22  1  0.797740  0.651644  0.434084  1
  Cr  Cr23  1  0.116912  0.619123  0.450717  1
  Cr  Cr24  1  0.435755  0.586603  0.467359  1
  Cr  Cr25  1  0.595220  0.070334  0.475725  1
  Cr  Cr26  1  0.914355  0.037879  0.492427  1
  Cr  Cr27  1  0.233359  0.005342  0.509095  1
  Cr  Cr28  1  0.754784  0.554120  0.484096  1
  Cr  Cr29  1  0.073886  0.521628  0.500765  1
  Cr  Cr30  1  0.392800  0.489110  0.517419  1
  Cr  Cr31  1  0.552279  0.972911  0.525779  1
  Cr  Cr32  1  0.871362  0.940407  0.542461  1
  Cr  Cr33  1  0.190480  0.907803  0.559172  1
  Cr  Cr34  1  0.711813  0.456656  0.534128  1
  Cr  Cr35  1  0.030947  0.424134  0.550812  1
  Cr  Cr36  1  0.349760  0.391584  0.567461  1
  Cr  Cr37  1  0.509190  0.875493  0.575834  1
  Cr  Cr38  1  0.828373  0.842903  0.592477  1
  Cr  Cr39  1  0.148011  0.810155  0.609324  1
  Cr  Cr40  1  0.668848  0.359167  0.584180  1
  Cr  Cr41  1  0.988065  0.326581  0.600863  1
  Cr  Cr42  1  0.306373  0.294110  0.617441  1
  Cr  Cr43  1  0.465012  0.777767  0.625872  1
  Cr  Cr44  1  0.785138  0.744918  0.642485  1
  Cr  Cr45  1  0.105712  0.712051  0.659707  1
  Cr  Cr46  1  0.626100  0.261094  0.634364  1
  Cr  Cr47  1  0.944574  0.228529  0.651038  1
  Cr  Cr48  1  0.263508  0.196399  0.667251  1
  Cr  Cr49  1  0.421530  0.677438  0.676109  1
  Cr  Cr50  1  0.744627  0.648212  0.693000  1
  Cr  Cr51  1  0.062148  0.613228  0.710581  1
  Cr  Cr52  1  0.586108  0.161614  0.685470  1
  Cr  Cr53  1  0.899896  0.133101  0.701690  1
  Cr  Cr54  1  0.219753  0.111875  0.719027  1
  Ni  Ni55  1  0.911472  0.235612  0.301448  1
  Ni  Ni56  1  0.230289  0.214556  0.317443  1
  Ni  Ni57  1  0.595063  0.265475  0.284835  1
  Ni  Ni58  1  0.738723  0.066495  0.309155  1
  Ni  Ni59  1  0.102663  0.128006  0.277587  1
  Ni  Ni60  1  0.417740  0.097267  0.293000  1
  Ni  Ni61  1  0.748862  0.758772  0.293119  1
  Ni  Ni62  1  0.071650  0.727212  0.309773  1
  Ni  Ni63  1  0.391506  0.693231  0.325981  1
  Ni  Ni64  1  0.897010  0.552252  0.317824  1
  Ni  Ni65  1  0.259461  0.605645  0.285647  1
  Ni  Ni66  1  0.578325  0.577872  0.300767  1
  Ni  Ni67  1  0.869665  0.142336  0.350686  1
  Ni  Ni68  1  0.188693  0.110831  0.366857  1
  Ni  Ni69  1  0.550573  0.177397  0.334882  1
  Ni  Ni70  1  0.694521  0.968672  0.358850  1
  Ni  Ni71  1  0.058217  0.033300  0.326386  1
  Ni  Ni72  1  0.375476  0.002307  0.342516  1
  Ni  Ni73  1  0.709014  0.660066  0.342293  1
  Ni  Ni74  1  0.029209  0.626471  0.359017  1
  Ni  Ni75  1  0.348007  0.594131  0.375352  1
  Ni  Ni76  1  0.854868  0.453028  0.367670  1
  Ni  Ni77  1  0.215172  0.515999  0.334579  1
  Ni  Ni78  1  0.536003  0.485269  0.350849  1
  Ni  Ni79  1  0.826426  0.045464  0.400478  1
  Ni  Ni80  1  0.145834  0.013182  0.417031  1
  Ni  Ni81  1  0.507382  0.077340  0.383808  1
  Ni  Ni82  1  0.652251  0.871359  0.409179  1
  Ni  Ni83  1  0.014818  0.936213  0.376028  1
  Ni  Ni84  1  0.333322  0.903886  0.392497  1
  Ni  Ni85  1  0.666860  0.561923  0.392143  1
  Ni  Ni86  1  0.986191  0.529292  0.408826  1
  Ni  Ni87  1  0.305185  0.496753  0.425404  1
  Ni  Ni88  1  0.811967  0.355178  0.417680  1
  Ni  Ni89  1  0.173662  0.419659  0.384265  1
  Ni  Ni90  1  0.492944  0.387590  0.400876  1
  Ni  Ni91  1  0.783603  0.948116  0.450481  1
  Ni  Ni92  1  0.102768  0.915629  0.467125  1
  Ni  Ni93  1  0.464603  0.980416  0.433746  1
  Ni  Ni94  1  0.609338  0.773867  0.459278  1
  Ni  Ni95  1  0.971504  0.838870  0.425986  1
  Ni  Ni96  1  0.290429  0.806396  0.442605  1
  Ni  Ni97  1  0.624089  0.464289  0.442132  1
  Ni  Ni98  1  0.943234  0.431835  0.458832  1
  Ni  Ni99  1  0.262221  0.399309  0.475465  1
  Ni  Ni100  1  0.768890  0.257612  0.467670  1
  Ni  Ni101  1  0.130925  0.322597  0.434306  1
  Ni  Ni102  1  0.449868  0.290098  0.450943  1
  Ni  Ni103  1  0.740670  0.850627  0.500507  1
  Ni  Ni104  1  0.059778  0.818132  0.517185  1
  Ni  Ni105  1  0.421689  0.883057  0.483796  1
  Ni  Ni106  1  0.566409  0.676437  0.509336  1
  Ni  Ni107  1  0.928464  0.741398  0.476010  1
  Ni  Ni108  1  0.247454  0.708890  0.492667  1
  Ni  Ni109  1  0.581152  0.366822  0.492160  1
  Ni  Ni110  1  0.900235  0.334359  0.508856  1
  Ni  Ni111  1  0.219238  0.301811  0.525511  1
  Ni  Ni112  1  0.725921  0.160177  0.517699  1
  Ni  Ni113  1  0.087960  0.225121  0.484346  1
  Ni  Ni114  1  0.406923  0.192613  0.501006  1
  Ni  Ni115  1  0.697689  0.753161  0.550548  1
  Ni  Ni116  1  0.016906  0.720702  0.567233  1
  Ni  Ni117  1  0.378713  0.785594  0.533847  1
  Ni  Ni118  1  0.523434  0.579058  0.559353  1
  Ni  Ni119  1  0.885491  0.643917  0.526045  1
  Ni  Ni120  1  0.204471  0.611403  0.542715  1
  Ni  Ni121  1  0.538172  0.269375  0.542219  1
  Ni  Ni122  1  0.857309  0.236872  0.558895  1
  Ni  Ni123  1  0.176214  0.204251  0.575543  1
  Ni  Ni124  1  0.682941  0.062811  0.567720  1
  Ni  Ni125  1  0.044975  0.127598  0.534391  1
  Ni  Ni126  1  0.363968  0.095101  0.551068  1
  Ni  Ni127  1  0.654515  0.655775  0.600597  1
  Ni  Ni128  1  0.974183  0.623598  0.617216  1
  Ni  Ni129  1  0.335629  0.687967  0.583897  1
  Ni  Ni130  1  0.480669  0.481733  0.609253  1
  Ni  Ni131  1  0.842546  0.546448  0.576067  1
  Ni  Ni132  1  0.161575  0.514067  0.592770  1
  Ni  Ni133  1  0.495135  0.171920  0.592327  1
  Ni  Ni134  1  0.814456  0.139362  0.608925  1
  Ni  Ni135  1  0.133174  0.106831  0.625578  1
  Ni  Ni136  1  0.640050  0.965684  0.617620  1
  Ni  Ni137  1  1.002077  0.029959  0.584456  1
  Ni  Ni138  1  0.321115  0.997645  0.601184  1
  Ni  Ni139  1  0.611609  0.558381  0.650594  1
  Ni  Ni140  1  0.931449  0.526376  0.666713  1
  Ni  Ni141  1  0.292749  0.590063  0.634135  1
  Ni  Ni142  1  0.439091  0.381511  0.658399  1
  Ni  Ni143  1  0.799567  0.449052  0.626002  1
  Ni  Ni144  1  0.118654  0.417171  0.642690  1
  Ni  Ni145  1  0.453009  0.074018  0.642531  1
  Ni  Ni146  1  0.771671  0.041209  0.658807  1
  Ni  Ni147  1  0.090882  0.009327  0.675265  1
  Ni  Ni148  1  0.596860  0.865267  0.666508  1
  Ni  Ni149  1  0.959300  0.932495  0.634501  1
  Ni  Ni150  1  0.278148  0.900347  0.651399  1
  Ni  Ni151  1  0.570641  0.466079  0.700217  1
  Ni  Ni152  1  0.885503  0.433738  0.715846  1
  Ni  Ni153  1  0.250494  0.492796  0.684442  1
  Ni  Ni154  1  0.397971  0.296149  0.708478  1
  Ni  Ni155  1  0.755842  0.349584  0.675270  1
  Ni  Ni156  1  0.075739  0.316474  0.691849  1
  Ni  Ni157  1  0.409292  0.983217  0.692132  1
  Ni  Ni158  1  0.728890  0.946333  0.708391  1
  Ni  Ni159  1  0.046407  0.916207  0.723918  1
  Ni  Ni160  1  0.551672  0.777233  0.715992  1
  Ni  Ni161  1  0.916832  0.831228  0.683684  1
  Ni  Ni162  1  0.239546  0.802130  0.701266  1
