# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.03806151
_cell_length_b   9.01453481
_cell_length_c   45.91622682
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   71.89470238
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2
_chemical_formula_sum   'Cr44 Ni88'
_cell_volume   3555.74810796
_cell_formula_units_Z   44
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  0.665050  0.135094  0.283825  1
  Cr  Cr2  1  0.165050  0.135094  0.283825  1
  Cr  Cr3  1  0.915050  0.635094  0.283825  1
  Cr  Cr4  1  0.415050  0.635094  0.283825  1
  Cr  Cr5  1  0.538368  0.027646  0.324846  1
  Cr  Cr6  1  0.038368  0.027646  0.324846  1
  Cr  Cr7  1  0.788368  0.527646  0.324846  1
  Cr  Cr8  1  0.288368  0.527646  0.324846  1
  Cr  Cr9  1  0.426102  0.905713  0.365426  1
  Cr  Cr10  1  0.926102  0.905713  0.365426  1
  Cr  Cr11  1  0.676102  0.405713  0.365426  1
  Cr  Cr12  1  0.176102  0.405713  0.365426  1
  Cr  Cr13  1  0.306983  0.786422  0.405345  1
  Cr  Cr14  1  0.806983  0.786422  0.405345  1
  Cr  Cr15  1  0.556983  0.286422  0.405345  1
  Cr  Cr16  1  0.056983  0.286422  0.405345  1
  Cr  Cr17  1  0.188830  0.667340  0.445318  1
  Cr  Cr18  1  0.688830  0.667340  0.445318  1
  Cr  Cr19  1  0.438830  0.167340  0.445318  1
  Cr  Cr20  1  0.938830  0.167340  0.445318  1
  Cr  Cr21  1  0.070658  0.548185  0.485308  1
  Cr  Cr22  1  0.570658  0.548185  0.485308  1
  Cr  Cr23  1  0.320658  0.048185  0.485308  1
  Cr  Cr24  1  0.820658  0.048185  0.485308  1
  Cr  Cr25  1  0.952554  0.428983  0.525315  1
  Cr  Cr26  1  0.452554  0.428983  0.525315  1
  Cr  Cr27  1  0.202554  0.928983  0.525315  1
  Cr  Cr28  1  0.702554  0.928983  0.525315  1
  Cr  Cr29  1  0.834532  0.309849  0.565324  1
  Cr  Cr30  1  0.334532  0.309849  0.565324  1
  Cr  Cr31  1  0.084532  0.809849  0.565324  1
  Cr  Cr32  1  0.584532  0.809849  0.565324  1
  Cr  Cr33  1  0.715722  0.190763  0.605177  1
  Cr  Cr34  1  0.215722  0.190763  0.605177  1
  Cr  Cr35  1  0.965722  0.690763  0.605177  1
  Cr  Cr36  1  0.465722  0.690763  0.605177  1
  Cr  Cr37  1  0.597787  0.071217  0.645401  1
  Cr  Cr38  1  0.097787  0.071217  0.645401  1
  Cr  Cr39  1  0.847787  0.571217  0.645401  1
  Cr  Cr40  1  0.347787  0.571217  0.645401  1
  Cr  Cr41  1  0.478979  0.949746  0.685946  1
  Cr  Cr42  1  0.978979  0.949746  0.685946  1
  Cr  Cr43  1  0.728979  0.449746  0.685946  1
  Cr  Cr44  1  0.228979  0.449746  0.685946  1
  Ni  Ni45  1  0.831826  0.894118  0.312574  1
  Ni  Ni46  1  0.331826  0.894118  0.312574  1
  Ni  Ni47  1  0.619215  0.777164  0.298997  1
  Ni  Ni48  1  0.119215  0.777164  0.298997  1
  Ni  Ni49  1  0.581826  0.394118  0.312574  1
  Ni  Ni50  1  0.081826  0.394118  0.312574  1
  Ni  Ni51  1  0.869215  0.277164  0.298997  1
  Ni  Ni52  1  0.369215  0.277164  0.298997  1
  Ni  Ni53  1  0.715530  0.775326  0.351836  1
  Ni  Ni54  1  0.215530  0.775326  0.351836  1
  Ni  Ni55  1  0.501987  0.655701  0.339266  1
  Ni  Ni56  1  1.001987  0.655701  0.339266  1
  Ni  Ni57  1  0.465530  0.275326  0.351836  1
  Ni  Ni58  1  0.965530  0.275326  0.351836  1
  Ni  Ni59  1  0.751987  0.155701  0.339266  1
  Ni  Ni60  1  0.251987  0.155701  0.339266  1
  Ni  Ni61  1  0.597411  0.655901  0.391621  1
  Ni  Ni62  1  0.097411  0.655901  0.391621  1
  Ni  Ni63  1  0.384442  0.536246  0.378898  1
  Ni  Ni64  1  0.884442  0.536246  0.378898  1
  Ni  Ni65  1  0.347411  0.155901  0.391621  1
  Ni  Ni66  1  0.847411  0.155901  0.391621  1
  Ni  Ni67  1  0.634442  0.036246  0.378898  1
  Ni  Ni68  1  0.134442  0.036246  0.378898  1
  Ni  Ni69  1  0.479340  0.536787  0.431547  1
  Ni  Ni70  1  0.979340  0.536787  0.431547  1
  Ni  Ni71  1  0.266485  0.417089  0.419073  1
  Ni  Ni72  1  0.766485  0.417089  0.419073  1
  Ni  Ni73  1  0.229340  0.036787  0.431547  1
  Ni  Ni74  1  0.729340  0.036787  0.431547  1
  Ni  Ni75  1  0.516485  0.917089  0.419073  1
  Ni  Ni76  1  0.016485  0.917089  0.419073  1
  Ni  Ni77  1  0.361273  0.417640  0.471577  1
  Ni  Ni78  1  0.861273  0.417640  0.471577  1
  Ni  Ni79  1  0.148263  0.297884  0.459063  1
  Ni  Ni80  1  0.648263  0.297884  0.459063  1
  Ni  Ni81  1  0.111273  0.917640  0.471577  1
  Ni  Ni82  1  0.611273  0.917640  0.471577  1
  Ni  Ni83  1  0.398263  0.797884  0.459063  1
  Ni  Ni84  1  0.898263  0.797884  0.459063  1
  Ni  Ni85  1  0.243135  0.298467  0.511572  1
  Ni  Ni86  1  0.743135  0.298467  0.511572  1
  Ni  Ni87  1  0.030092  0.178709  0.499051  1
  Ni  Ni88  1  0.530092  0.178709  0.499051  1
  Ni  Ni89  1  0.993135  0.798467  0.511572  1
  Ni  Ni90  1  0.493135  0.798467  0.511572  1
  Ni  Ni91  1  0.280092  0.678709  0.499051  1
  Ni  Ni92  1  0.780092  0.678709  0.499051  1
  Ni  Ni93  1  0.124937  0.179280  0.551540  1
  Ni  Ni94  1  0.624937  0.179280  0.551540  1
  Ni  Ni95  1  0.911977  0.059532  0.539055  1
  Ni  Ni96  1  0.411977  0.059532  0.539055  1
  Ni  Ni97  1  0.874937  0.679280  0.551540  1
  Ni  Ni98  1  0.374937  0.679280  0.551540  1
  Ni  Ni99  1  0.161977  0.559532  0.539055  1
  Ni  Ni100  1  0.661977  0.559532  0.539055  1
  Ni  Ni101  1  0.006676  0.060143  0.591611  1
  Ni  Ni102  1  0.506676  0.060143  0.591611  1
  Ni  Ni103  1  0.793902  0.940390  0.579067  1
  Ni  Ni104  1  0.293902  0.940390  0.579067  1
  Ni  Ni105  1  0.756676  0.560143  0.591611  1
  Ni  Ni106  1  0.256676  0.560143  0.591611  1
  Ni  Ni107  1  0.043902  0.440390  0.579067  1
  Ni  Ni108  1  0.543902  0.440390  0.579067  1
  Ni  Ni109  1  0.889101  0.940501  0.631680  1
  Ni  Ni110  1  0.389101  0.940501  0.631680  1
  Ni  Ni111  1  0.676011  0.821659  0.619040  1
  Ni  Ni112  1  0.176011  0.821659  0.619040  1
  Ni  Ni113  1  0.639101  0.440501  0.631680  1
  Ni  Ni114  1  0.139101  0.440501  0.631680  1
  Ni  Ni115  1  0.926011  0.321659  0.619040  1
  Ni  Ni116  1  0.426011  0.321659  0.619040  1
  Ni  Ni117  1  0.771431  0.822712  0.671423  1
  Ni  Ni118  1  0.271431  0.822712  0.671423  1
  Ni  Ni119  1  0.559499  0.700804  0.658071  1
  Ni  Ni120  1  0.059499  0.700804  0.658071  1
  Ni  Ni121  1  0.521431  0.322712  0.671423  1
  Ni  Ni122  1  0.021431  0.322712  0.671423  1
  Ni  Ni123  1  0.809499  0.200804  0.658071  1
  Ni  Ni124  1  0.309499  0.200804  0.658071  1
  Ni  Ni125  1  0.654473  0.707800  0.710429  1
  Ni  Ni126  1  0.154473  0.707800  0.710429  1
  Ni  Ni127  1  0.441246  0.585922  0.698978  1
  Ni  Ni128  1  0.941246  0.585922  0.698978  1
  Ni  Ni129  1  0.404473  0.207800  0.710429  1
  Ni  Ni130  1  0.904473  0.207800  0.710429  1
  Ni  Ni131  1  0.691246  0.085922  0.698978  1
  Ni  Ni132  1  0.191246  0.085922  0.698978  1
