# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48364703
_cell_length_b   8.43278985
_cell_length_c   47.46067740
_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   'Cr36 Ni72'
_cell_volume   2995.14950605
_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  1.000747  0.825134  0.293597  1
  Cr  Cr2  1  0.000747  0.297901  0.344358  1
  Cr  Cr3  1  0.000747  0.564521  0.318769  1
  Cr  Cr4  1  0.500747  0.064521  0.318769  1
  Cr  Cr5  1  0.500747  0.325134  0.293597  1
  Cr  Cr6  1  0.500747  0.797901  0.344358  1
  Cr  Cr7  1  0.000747  0.030228  0.367857  1
  Cr  Cr8  1  1.000747  0.495021  0.414946  1
  Cr  Cr9  1  0.000747  0.762758  0.391483  1
  Cr  Cr10  1  0.500747  0.262758  0.391483  1
  Cr  Cr11  1  0.500747  0.530228  0.367857  1
  Cr  Cr12  1  0.500747  0.995021  0.414946  1
  Cr  Cr13  1  1.000747  0.228183  0.438822  1
  Cr  Cr14  1  1.000747  0.694348  0.486505  1
  Cr  Cr15  1  1.000747  0.961228  0.462654  1
  Cr  Cr16  1  0.500747  0.461228  0.462654  1
  Cr  Cr17  1  0.500747  0.728183  0.438822  1
  Cr  Cr18  1  0.500747  0.194348  0.486505  1
  Cr  Cr19  1  1.000747  0.427260  0.510258  1
  Cr  Cr20  1  1.000747  0.893425  0.557942  1
  Cr  Cr21  1  1.000747  0.160380  0.534109  1
  Cr  Cr22  1  0.500747  0.660380  0.534109  1
  Cr  Cr23  1  0.500747  0.927260  0.510258  1
  Cr  Cr24  1  0.500747  0.393425  0.557942  1
  Cr  Cr25  1  0.000747  0.626587  0.581818  1
  Cr  Cr26  1  0.000747  0.091381  0.628907  1
  Cr  Cr27  1  0.000747  0.358850  0.605281  1
  Cr  Cr28  1  0.500747  0.858850  0.605281  1
  Cr  Cr29  1  0.500747  0.126587  0.581818  1
  Cr  Cr30  1  0.500747  0.591381  0.628907  1
  Cr  Cr31  1  0.000747  0.823707  0.652406  1
  Cr  Cr32  1  0.000747  0.296474  0.703167  1
  Cr  Cr33  1  0.000747  0.557087  0.677995  1
  Cr  Cr34  1  0.500747  0.057087  0.677995  1
  Cr  Cr35  1  0.500747  0.323707  0.652406  1
  Cr  Cr36  1  0.500747  0.796474  0.703167  1
  Ni  Ni37  1  0.170595  0.060981  0.319825  1
  Ni  Ni38  1  0.168228  0.325628  0.297136  1
  Ni  Ni39  1  0.171251  0.795922  0.343699  1
  Ni  Ni40  1  0.333266  0.825628  0.297136  1
  Ni  Ni41  1  0.330243  0.295922  0.343699  1
  Ni  Ni42  1  0.330898  0.560981  0.319825  1
  Ni  Ni43  1  0.668228  0.825628  0.297136  1
  Ni  Ni44  1  0.671251  0.295922  0.343699  1
  Ni  Ni45  1  0.670595  0.560981  0.319825  1
  Ni  Ni46  1  0.830898  0.060981  0.319825  1
  Ni  Ni47  1  0.833266  0.325628  0.297136  1
  Ni  Ni48  1  0.830243  0.795922  0.343699  1
  Ni  Ni49  1  0.172707  0.262592  0.391310  1
  Ni  Ni50  1  0.172099  0.529759  0.367298  1
  Ni  Ni51  1  0.172438  0.995488  0.415123  1
  Ni  Ni52  1  0.329395  0.029759  0.367298  1
  Ni  Ni53  1  0.329055  0.495488  0.415123  1
  Ni  Ni54  1  0.328786  0.762592  0.391310  1
  Ni  Ni55  1  0.672099  0.029759  0.367298  1
  Ni  Ni56  1  0.672438  0.495488  0.415123  1
  Ni  Ni57  1  0.672707  0.762592  0.391310  1
  Ni  Ni58  1  0.828786  0.262592  0.391310  1
  Ni  Ni59  1  0.829395  0.529759  0.367298  1
  Ni  Ni60  1  0.829055  0.995488  0.415123  1
  Ni  Ni61  1  0.172043  0.461233  0.462676  1
  Ni  Ni62  1  0.172124  0.728210  0.438930  1
  Ni  Ni63  1  0.172108  0.194252  0.486483  1
  Ni  Ni64  1  0.329370  0.228210  0.438930  1
  Ni  Ni65  1  0.329385  0.694252  0.486483  1
  Ni  Ni66  1  0.329450  0.961233  0.462676  1
  Ni  Ni67  1  0.672124  0.228210  0.438930  1
  Ni  Ni68  1  0.672108  0.694252  0.486483  1
  Ni  Ni69  1  0.672043  0.961233  0.462676  1
  Ni  Ni70  1  0.829450  0.461233  0.462676  1
  Ni  Ni71  1  0.829370  0.728210  0.438930  1
  Ni  Ni72  1  0.829385  0.194252  0.486483  1
  Ni  Ni73  1  0.172043  0.660375  0.534088  1
  Ni  Ni74  1  0.172108  0.927356  0.510281  1
  Ni  Ni75  1  0.172124  0.393398  0.557834  1
  Ni  Ni76  1  0.329385  0.427356  0.510281  1
  Ni  Ni77  1  0.329370  0.893398  0.557834  1
  Ni  Ni78  1  0.329450  0.160375  0.534088  1
  Ni  Ni79  1  0.672108  0.427356  0.510281  1
  Ni  Ni80  1  0.672124  0.893398  0.557834  1
  Ni  Ni81  1  0.672043  0.160375  0.534088  1
  Ni  Ni82  1  0.829450  0.660375  0.534088  1
  Ni  Ni83  1  0.829385  0.927356  0.510281  1
  Ni  Ni84  1  0.829370  0.393398  0.557834  1
  Ni  Ni85  1  0.172707  0.859017  0.605454  1
  Ni  Ni86  1  0.172438  0.126120  0.581641  1
  Ni  Ni87  1  0.172099  0.591850  0.629466  1
  Ni  Ni88  1  0.329055  0.626120  0.581641  1
  Ni  Ni89  1  0.329395  0.091850  0.629466  1
  Ni  Ni90  1  0.328786  0.359017  0.605454  1
  Ni  Ni91  1  0.672438  0.626120  0.581641  1
  Ni  Ni92  1  0.672099  0.091850  0.629466  1
  Ni  Ni93  1  0.672707  0.359017  0.605454  1
  Ni  Ni94  1  0.828786  0.859017  0.605454  1
  Ni  Ni95  1  0.829055  0.126120  0.581641  1
  Ni  Ni96  1  0.829395  0.591850  0.629466  1
  Ni  Ni97  1  0.170595  0.060627  0.676939  1
  Ni  Ni98  1  0.171251  0.325686  0.653065  1
  Ni  Ni99  1  0.168228  0.795980  0.699627  1
  Ni  Ni100  1  0.330243  0.825686  0.653065  1
  Ni  Ni101  1  0.333266  0.295980  0.699627  1
  Ni  Ni102  1  0.330898  0.560627  0.676939  1
  Ni  Ni103  1  0.671251  0.825686  0.653065  1
  Ni  Ni104  1  0.668228  0.295980  0.699627  1
  Ni  Ni105  1  0.670595  0.560627  0.676939  1
  Ni  Ni106  1  0.830898  0.060627  0.676939  1
  Ni  Ni107  1  0.830243  0.325686  0.653065  1
  Ni  Ni108  1  0.833266  0.795980  0.699627  1
