# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.74532747
_cell_length_b   22.61851194
_cell_length_c   45.26662514
_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   3834.70484134
_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  1.004001  0.932541  0.278517  1
  Cr  Cr2  1  1.004001  0.267072  0.296170  1
  Cr  Cr3  1  1.004001  0.595335  0.316858  1
  Cr  Cr4  1  0.504001  0.095335  0.316858  1
  Cr  Cr5  1  0.504001  0.432541  0.278517  1
  Cr  Cr6  1  0.504001  0.767072  0.296170  1
  Cr  Cr7  1  1.004001  0.925029  0.335697  1
  Cr  Cr8  1  1.004001  0.253956  0.353183  1
  Cr  Cr9  1  1.004001  0.583108  0.372376  1
  Cr  Cr10  1  0.504001  0.083108  0.372376  1
  Cr  Cr11  1  0.504001  0.425029  0.335697  1
  Cr  Cr12  1  0.504001  0.753956  0.353183  1
  Cr  Cr13  1  1.004001  0.912115  0.391061  1
  Cr  Cr14  1  1.004001  0.241357  0.409297  1
  Cr  Cr15  1  1.004001  0.570592  0.428012  1
  Cr  Cr16  1  0.504001  0.070592  0.428012  1
  Cr  Cr17  1  0.504001  0.412115  0.391061  1
  Cr  Cr18  1  0.504001  0.741357  0.409297  1
  Cr  Cr19  1  1.004001  0.899690  0.446576  1
  Cr  Cr20  1  1.004001  0.228886  0.465011  1
  Cr  Cr21  1  1.004001  0.558080  0.483639  1
  Cr  Cr22  1  0.504001  0.058080  0.483639  1
  Cr  Cr23  1  0.504001  0.399690  0.446576  1
  Cr  Cr24  1  0.504001  0.728886  0.465011  1
  Cr  Cr25  1  1.004001  0.887294  0.502164  1
  Cr  Cr26  1  1.004001  0.216425  0.520612  1
  Cr  Cr27  1  1.004001  0.545578  0.539300  1
  Cr  Cr28  1  0.504001  0.045578  0.539300  1
  Cr  Cr29  1  0.504001  0.387294  0.502164  1
  Cr  Cr30  1  0.504001  0.716425  0.520612  1
  Cr  Cr31  1  1.004001  0.874921  0.557777  1
  Cr  Cr32  1  1.004001  0.203933  0.576140  1
  Cr  Cr33  1  1.004001  0.533051  0.595087  1
  Cr  Cr34  1  0.504001  0.033051  0.595087  1
  Cr  Cr35  1  0.504001  0.374921  0.557777  1
  Cr  Cr36  1  0.504001  0.703933  0.576140  1
  Cr  Cr37  1  1.004001  0.862515  0.613424  1
  Cr  Cr38  1  1.004001  0.191390  0.631576  1
  Cr  Cr39  1  1.004001  0.520547  0.651301  1
  Cr  Cr40  1  0.504001  0.020547  0.651301  1
  Cr  Cr41  1  0.504001  0.362515  0.613424  1
  Cr  Cr42  1  0.504001  0.691390  0.631576  1
  Cr  Cr43  1  1.004001  0.849384  0.669072  1
  Cr  Cr44  1  1.004001  0.179740  0.687152  1
  Cr  Cr45  1  1.004001  0.508610  0.708028  1
  Cr  Cr46  1  0.504001  0.008610  0.708028  1
  Cr  Cr47  1  0.504001  0.349384  0.669072  1
  Cr  Cr48  1  0.504001  0.679740  0.687152  1
  Ni  Ni49  1  0.504001  0.204354  0.323022  1
  Ni  Ni50  1  0.504001  0.544486  0.286863  1
  Ni  Ni51  1  0.504001  0.875575  0.305972  1
  Ni  Ni52  1  1.004001  0.155817  0.293107  1
  Ni  Ni53  1  1.004001  0.486689  0.311153  1
  Ni  Ni54  1  1.004001  0.816413  0.329140  1
  Ni  Ni55  1  1.004001  0.044486  0.286863  1
  Ni  Ni56  1  1.004001  0.375575  0.305972  1
  Ni  Ni57  1  1.004001  0.704354  0.323022  1
  Ni  Ni58  1  0.504001  0.986689  0.311153  1
  Ni  Ni59  1  0.504001  0.316413  0.329140  1
  Ni  Ni60  1  0.504001  0.655817  0.293107  1
  Ni  Ni61  1  0.504001  0.191286  0.378339  1
  Ni  Ni62  1  0.504001  0.532802  0.341674  1
  Ni  Ni63  1  0.504001  0.861713  0.360466  1
  Ni  Ni64  1  1.004001  0.145738  0.347940  1
  Ni  Ni65  1  1.004001  0.474906  0.366456  1
  Ni  Ni66  1  1.004001  0.803887  0.384724  1
  Ni  Ni67  1  1.004001  0.032802  0.341674  1
  Ni  Ni68  1  1.004001  0.361713  0.360466  1
  Ni  Ni69  1  1.004001  0.691286  0.378339  1
  Ni  Ni70  1  0.504001  0.974906  0.366456  1
  Ni  Ni71  1  0.504001  0.303887  0.384724  1
  Ni  Ni72  1  0.504001  0.645738  0.347940  1
  Ni  Ni73  1  0.504001  0.178702  0.434017  1
  Ni  Ni74  1  0.504001  0.520341  0.397139  1
  Ni  Ni75  1  0.504001  0.849330  0.415609  1
  Ni  Ni76  1  1.004001  0.133341  0.403333  1
  Ni  Ni77  1  1.004001  0.462432  0.422000  1
  Ni  Ni78  1  1.004001  0.791551  0.440404  1
  Ni  Ni79  1  1.004001  0.020341  0.397139  1
  Ni  Ni80  1  1.004001  0.349330  0.415609  1
  Ni  Ni81  1  1.004001  0.678702  0.434017  1
  Ni  Ni82  1  0.504001  0.962432  0.422000  1
  Ni  Ni83  1  0.504001  0.291551  0.440404  1
  Ni  Ni84  1  0.504001  0.633341  0.403333  1
  Ni  Ni85  1  0.504001  0.166189  0.489662  1
  Ni  Ni86  1  0.504001  0.507836  0.452693  1
  Ni  Ni87  1  0.504001  0.836994  0.471134  1
  Ni  Ni88  1  1.004001  0.120795  0.458956  1
  Ni  Ni89  1  1.004001  0.449967  0.477591  1
  Ni  Ni90  1  1.004001  0.779165  0.496002  1
  Ni  Ni91  1  1.004001  0.007836  0.452693  1
  Ni  Ni92  1  1.004001  0.336994  0.471134  1
  Ni  Ni93  1  1.004001  0.666189  0.489662  1
  Ni  Ni94  1  0.504001  0.949967  0.477591  1
  Ni  Ni95  1  0.504001  0.279165  0.496002  1
  Ni  Ni96  1  0.504001  0.620795  0.458956  1
  Ni  Ni97  1  0.504001  0.153674  0.545279  1
  Ni  Ni98  1  0.504001  0.495384  0.508308  1
  Ni  Ni99  1  0.504001  0.824601  0.526694  1
  Ni  Ni100  1  1.004001  0.108288  0.514588  1
  Ni  Ni101  1  1.004001  0.437528  0.533234  1
  Ni  Ni102  1  1.004001  0.766779  0.551515  1
  Ni  Ni103  1  1.004001  0.995384  0.508308  1
  Ni  Ni104  1  1.004001  0.324601  0.526694  1
  Ni  Ni105  1  1.004001  0.653674  0.545279  1
  Ni  Ni106  1  0.504001  0.937528  0.533234  1
  Ni  Ni107  1  0.504001  0.266779  0.551515  1
  Ni  Ni108  1  0.504001  0.608288  0.514588  1
  Ni  Ni109  1  0.504001  0.141102  0.600854  1
  Ni  Ni110  1  0.504001  0.482952  0.563996  1
  Ni  Ni111  1  0.504001  0.812221  0.582209  1
  Ni  Ni112  1  1.004001  0.095739  0.570232  1
  Ni  Ni113  1  1.004001  0.425137  0.588922  1
  Ni  Ni114  1  1.004001  0.754407  0.606814  1
  Ni  Ni115  1  1.004001  0.982952  0.563996  1
  Ni  Ni116  1  1.004001  0.312221  0.582209  1
  Ni  Ni117  1  1.004001  0.641102  0.600854  1
  Ni  Ni118  1  0.504001  0.925137  0.588922  1
  Ni  Ni119  1  0.504001  0.254407  0.606814  1
  Ni  Ni120  1  0.504001  0.595739  0.570232  1
  Ni  Ni121  1  0.504001  0.128782  0.656174  1
  Ni  Ni122  1  0.504001  0.470538  0.619779  1
  Ni  Ni123  1  0.504001  0.799842  0.637633  1
  Ni  Ni124  1  1.004001  0.083153  0.625937  1
  Ni  Ni125  1  1.004001  0.412673  0.644440  1
  Ni  Ni126  1  1.004001  0.740894  0.661429  1
  Ni  Ni127  1  1.004001  0.970538  0.619779  1
  Ni  Ni128  1  1.004001  0.299842  0.637633  1
  Ni  Ni129  1  1.004001  0.628782  0.656174  1
  Ni  Ni130  1  0.504001  0.912673  0.644440  1
  Ni  Ni131  1  0.504001  0.240894  0.661429  1
  Ni  Ni132  1  0.504001  0.583153  0.625937  1
  Ni  Ni133  1  0.504001  0.121327  0.711047  1
  Ni  Ni134  1  0.504001  0.458472  0.675239  1
  Ni  Ni135  1  0.504001  0.788614  0.692361  1
  Ni  Ni136  1  1.004001  0.070817  0.681339  1
  Ni  Ni137  1  1.004001  0.397682  0.699369  1
  Ni  Ni138  1  1.004001  0.735195  0.716484  1
  Ni  Ni139  1  1.004001  0.958472  0.675239  1
  Ni  Ni140  1  1.004001  0.288614  0.692361  1
  Ni  Ni141  1  1.004001  0.621327  0.711047  1
  Ni  Ni142  1  0.504001  0.897682  0.699369  1
  Ni  Ni143  1  0.504001  0.235195  0.716484  1
  Ni  Ni144  1  0.504001  0.570817  0.681339  1
