# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.27901578
_cell_length_b   7.95213309
_cell_length_c   45.78309245
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.53333147
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2
_chemical_formula_sum   'Cr36 Ni72'
_cell_volume   2633.23377521
_cell_formula_units_Z   36
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  0.625556  0.462672  0.288903  1
  Cr  Cr2  1  0.059340  0.417462  0.311998  1
  Cr  Cr3  1  0.421068  0.985623  0.277868  1
  Cr  Cr4  1  0.828126  0.947283  0.299171  1
  Cr  Cr5  1  0.510337  0.372494  0.339193  1
  Cr  Cr6  1  0.950502  0.325893  0.362973  1
  Cr  Cr7  1  0.288015  0.894448  0.326842  1
  Cr  Cr8  1  0.730826  0.848458  0.350910  1
  Cr  Cr9  1  0.392915  0.280635  0.388260  1
  Cr  Cr10  1  0.839838  0.234133  0.413877  1
  Cr  Cr11  1  0.170767  0.803107  0.375730  1
  Cr  Cr12  1  0.616589  0.757274  0.401004  1
  Cr  Cr13  1  0.279994  0.187581  0.438490  1
  Cr  Cr14  1  0.724541  0.142100  0.463805  1
  Cr  Cr15  1  0.060005  0.710519  0.426320  1
  Cr  Cr16  1  0.501764  0.664910  0.450978  1
  Cr  Cr17  1  0.168136  0.095630  0.489002  1
  Cr  Cr18  1  0.610791  0.049713  0.513918  1
  Cr  Cr19  1  0.946603  0.618820  0.476492  1
  Cr  Cr20  1  0.389539  0.572617  0.501445  1
  Cr  Cr21  1  0.054225  0.003446  0.539122  1
  Cr  Cr22  1  0.498302  0.957681  0.564268  1
  Cr  Cr23  1  0.832080  0.526652  0.526438  1
  Cr  Cr24  1  0.276913  0.480542  0.551835  1
  Cr  Cr25  1  0.940374  0.911524  0.589334  1
  Cr  Cr26  1  0.384807  0.865214  0.614337  1
  Cr  Cr27  1  0.718967  0.434578  0.576670  1
  Cr  Cr28  1  0.162723  0.388350  0.601881  1
  Cr  Cr29  1  0.829503  0.818539  0.639875  1
  Cr  Cr30  1  0.268823  0.774034  0.663567  1
  Cr  Cr31  1  0.606276  0.342270  0.627025  1
  Cr  Cr32  1  0.049649  0.297140  0.652096  1
  Cr  Cr33  1  0.720062  0.728141  0.690368  1
  Cr  Cr34  1  0.153558  0.684220  0.713668  1
  Cr  Cr35  1  0.492440  0.251630  0.676046  1
  Cr  Cr36  1  0.941916  0.202184  0.702190  1
  Ni  Ni37  1  0.365464  0.283163  0.294272  1
  Ni  Ni38  1  0.801332  0.240375  0.317838  1
  Ni  Ni39  1  0.542960  0.069343  0.324108  1
  Ni  Ni40  1  0.104014  0.109726  0.297294  1
  Ni  Ni41  1  0.580542  0.758598  0.306588  1
  Ni  Ni42  1  0.144370  0.812120  0.281808  1
  Ni  Ni43  1  0.320775  0.588625  0.309636  1
  Ni  Ni44  1  0.877851  0.645885  0.285201  1
  Ni  Ni45  1  0.245152  0.197419  0.342508  1
  Ni  Ni46  1  0.693522  0.150178  0.368330  1
  Ni  Ni47  1  0.431580  0.978609  0.372489  1
  Ni  Ni48  1  0.985632  0.023647  0.346128  1
  Ni  Ni49  1  0.469465  0.672034  0.355373  1
  Ni  Ni50  1  0.022745  0.722411  0.329504  1
  Ni  Ni51  1  0.206716  0.502268  0.358537  1
  Ni  Ni52  1  0.767950  0.546708  0.334765  1
  Ni  Ni53  1  0.133517  0.103736  0.392295  1
  Ni  Ni54  1  0.578467  0.058907  0.417918  1
  Ni  Ni55  1  0.317793  0.886371  0.421981  1
  Ni  Ni56  1  0.875701  0.932039  0.397182  1
  Ni  Ni57  1  0.355463  0.581258  0.404813  1
  Ni  Ni58  1  0.913765  0.626942  0.380269  1
  Ni  Ni59  1  0.096817  0.409489  0.409329  1
  Ni  Ni60  1  0.654824  0.455339  0.384922  1
  Ni  Ni61  1  0.022034  0.011739  0.442957  1
  Ni  Ni62  1  0.464690  0.966112  0.467843  1
  Ni  Ni63  1  0.205584  0.794228  0.472385  1
  Ni  Ni64  1  0.761830  0.840395  0.447224  1
  Ni  Ni65  1  0.243484  0.488776  0.455293  1
  Ni  Ni66  1  0.800677  0.535494  0.430489  1
  Ni  Ni67  1  0.984255  0.317577  0.459881  1
  Ni  Ni68  1  0.539753  0.363507  0.434484  1
  Ni  Ni69  1  0.908466  0.920106  0.493030  1
  Ni  Ni70  1  0.352006  0.873943  0.518194  1
  Ni  Ni71  1  0.092239  0.702155  0.522525  1
  Ni  Ni72  1  0.648178  0.748352  0.497250  1
  Ni  Ni73  1  0.130651  0.397135  0.505675  1
  Ni  Ni74  1  0.686410  0.443291  0.480344  1
  Ni  Ni75  1  0.870333  0.225455  0.509878  1
  Ni  Ni76  1  0.426721  0.271245  0.484699  1
  Ni  Ni77  1  0.794891  0.828005  0.543122  1
  Ni  Ni78  1  0.238659  0.781863  0.568340  1
  Ni  Ni79  1  0.978291  0.610065  0.572439  1
  Ni  Ni80  1  0.535390  0.656377  0.547621  1
  Ni  Ni81  1  0.016886  0.305171  0.555702  1
  Ni  Ni82  1  0.573300  0.350871  0.530567  1
  Ni  Ni83  1  0.757068  0.133419  0.560021  1
  Ni  Ni84  1  0.313900  0.179212  0.535067  1
  Ni  Ni85  1  0.682219  0.735971  0.593493  1
  Ni  Ni86  1  0.124408  0.689787  0.618103  1
  Ni  Ni87  1  0.865425  0.518051  0.622623  1
  Ni  Ni88  1  0.422854  0.564164  0.597991  1
  Ni  Ni89  1  0.903382  0.213402  0.605869  1
  Ni  Ni90  1  0.460624  0.258711  0.580911  1
  Ni  Ni91  1  0.644793  0.041031  0.610354  1
  Ni  Ni92  1  0.200083  0.086914  0.585086  1
  Ni  Ni93  1  0.571178  0.644262  0.643913  1
  Ni  Ni94  1  0.013684  0.596415  0.668332  1
  Ni  Ni95  1  0.754638  0.425446  0.672661  1
  Ni  Ni96  1  0.309531  0.473141  0.647794  1
  Ni  Ni97  1  0.791757  0.121950  0.656122  1
  Ni  Ni98  1  0.346876  0.166496  0.630693  1
  Ni  Ni99  1  0.533499  0.947921  0.659999  1
  Ni  Ni100  1  0.086997  0.996337  0.635211  1
  Ni  Ni101  1  0.458121  0.559593  0.692968  1
  Ni  Ni102  1  0.900227  0.502368  0.717324  1
  Ni  Ni103  1  0.636898  0.337982  0.720400  1
  Ni  Ni104  1  0.202322  0.382835  0.697513  1
  Ni  Ni105  1  0.675716  0.035769  0.705007  1
  Ni  Ni106  1  0.238578  0.077624  0.680305  1
  Ni  Ni107  1  0.415657  0.863205  0.708499  1
  Ni  Ni108  1  0.976712  0.905463  0.684776  1
