# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.51766736
_cell_length_b   22.71881935
_cell_length_c   48.63348318
_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   2781.75888337
_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  1.001587  0.554389  0.319687  1
  Cr  Cr2  1  1.001587  0.231855  0.289530  1
  Cr  Cr3  1  1.001587  0.904841  0.265261  1
  Cr  Cr4  1  0.501587  0.377541  0.344620  1
  Cr  Cr5  1  0.501587  0.054357  0.318972  1
  Cr  Cr6  1  0.501587  0.731147  0.289248  1
  Cr  Cr7  1  1.001587  0.526935  0.394876  1
  Cr  Cr8  1  1.001587  0.202556  0.369584  1
  Cr  Cr9  1  1.001587  0.877634  0.344071  1
  Cr  Cr10  1  0.501587  0.350986  0.420550  1
  Cr  Cr11  1  0.501587  0.026887  0.394805  1
  Cr  Cr12  1  0.501587  0.702561  0.370029  1
  Cr  Cr13  1  1.001587  0.499258  0.472082  1
  Cr  Cr14  1  1.001587  0.175109  0.446324  1
  Cr  Cr15  1  1.001587  0.851121  0.420665  1
  Cr  Cr16  1  0.501587  0.323465  0.497570  1
  Cr  Cr17  1  0.501587  0.999346  0.472039  1
  Cr  Cr18  1  0.501587  0.675184  0.446437  1
  Cr  Cr19  1  1.001587  0.471899  0.548789  1
  Cr  Cr20  1  1.001587  0.147737  0.523187  1
  Cr  Cr21  1  1.001587  0.823618  0.497656  1
  Cr  Cr22  1  0.501587  0.295962  0.574561  1
  Cr  Cr23  1  0.501587  0.971974  0.548902  1
  Cr  Cr24  1  0.501587  0.647825  0.523144  1
  Cr  Cr25  1  1.001587  0.444522  0.625197  1
  Cr  Cr26  1  1.001587  0.120196  0.600421  1
  Cr  Cr27  1  1.001587  0.796097  0.574676  1
  Cr  Cr28  1  0.501587  0.269449  0.651155  1
  Cr  Cr29  1  0.501587  0.944527  0.625642  1
  Cr  Cr30  1  0.501587  0.620148  0.600350  1
  Cr  Cr31  1  1.001587  0.415936  0.705978  1
  Cr  Cr32  1  1.001587  0.092726  0.676254  1
  Cr  Cr33  1  1.001587  0.769542  0.650606  1
  Cr  Cr34  1  0.501587  0.242242  0.729965  1
  Cr  Cr35  1  0.501587  0.915228  0.705696  1
  Cr  Cr36  1  0.501587  0.592694  0.675539  1
  Ni  Ni37  1  0.501587  0.271599  0.334648  1
  Ni  Ni38  1  0.501587  0.947781  0.310038  1
  Ni  Ni39  1  0.501587  0.621525  0.284767  1
  Ni  Ni40  1  1.001587  0.339168  0.300881  1
  Ni  Ni41  1  1.001587  0.012272  0.276042  1
  Ni  Ni42  1  1.001587  0.661862  0.326357  1
  Ni  Ni43  1  1.001587  0.447421  0.310261  1
  Ni  Ni44  1  1.001587  0.122703  0.284424  1
  Ni  Ni45  1  1.001587  0.770727  0.335048  1
  Ni  Ni46  1  0.501587  0.510997  0.277098  1
  Ni  Ni47  1  0.501587  0.161848  0.326173  1
  Ni  Ni48  1  0.501587  0.837037  0.301485  1
  Ni  Ni49  1  0.501587  0.244359  0.412326  1
  Ni  Ni50  1  0.501587  0.920136  0.386721  1
  Ni  Ni51  1  0.501587  0.596645  0.361217  1
  Ni  Ni52  1  1.001587  0.308704  0.377742  1
  Ni  Ni53  1  1.001587  0.984428  0.352303  1
  Ni  Ni54  1  1.001587  0.633305  0.403780  1
  Ni  Ni55  1  1.001587  0.420221  0.386898  1
  Ni  Ni56  1  1.001587  0.096476  0.360904  1
  Ni  Ni57  1  1.001587  0.744572  0.412500  1
  Ni  Ni58  1  0.501587  0.484264  0.352396  1
  Ni  Ni59  1  0.501587  0.133307  0.403522  1
  Ni  Ni60  1  0.501587  0.808965  0.377788  1
  Ni  Ni61  1  0.501587  0.216935  0.489150  1
  Ni  Ni62  1  0.501587  0.892834  0.463543  1
  Ni  Ni63  1  0.501587  0.568449  0.437964  1
  Ni  Ni64  1  1.001587  0.281755  0.454725  1
  Ni  Ni65  1  1.001587  0.957734  0.429113  1
  Ni  Ni66  1  1.001587  0.605888  0.480396  1
  Ni  Ni67  1  1.001587  0.392704  0.463487  1
  Ni  Ni68  1  1.001587  0.068487  0.437856  1
  Ni  Ni69  1  1.001587  0.717068  0.489217  1
  Ni  Ni70  1  0.501587  0.457671  0.429187  1
  Ni  Ni71  1  0.501587  0.105901  0.480367  1
  Ni  Ni72  1  0.501587  0.781874  0.454844  1
  Ni  Ni73  1  0.501587  0.189349  0.566113  1
  Ni  Ni74  1  0.501587  0.865328  0.540501  1
  Ni  Ni75  1  0.501587  0.541195  0.514830  1
  Ni  Ni76  1  1.001587  0.254249  0.531683  1
  Ni  Ni77  1  1.001587  0.930148  0.506076  1
  Ni  Ni78  1  1.001587  0.578634  0.557262  1
  Ni  Ni79  1  1.001587  0.365209  0.540382  1
  Ni  Ni80  1  1.001587  0.041182  0.514859  1
  Ni  Ni81  1  1.001587  0.689412  0.566039  1
  Ni  Ni82  1  0.501587  0.430015  0.506009  1
  Ni  Ni83  1  0.501587  0.078596  0.557370  1
  Ni  Ni84  1  0.501587  0.754379  0.531739  1
  Ni  Ni85  1  0.501587  0.162655  0.642923  1
  Ni  Ni86  1  0.501587  0.838379  0.617484  1
  Ni  Ni87  1  0.501587  0.513778  0.591446  1
  Ni  Ni88  1  1.001587  0.226947  0.608505  1
  Ni  Ni89  1  1.001587  0.902724  0.582900  1
  Ni  Ni90  1  1.001587  0.550438  0.634009  1
  Ni  Ni91  1  1.001587  0.338118  0.617438  1
  Ni  Ni92  1  1.001587  0.013776  0.591704  1
  Ni  Ni93  1  1.001587  0.662819  0.642830  1
  Ni  Ni94  1  0.501587  0.402511  0.582726  1
  Ni  Ni95  1  0.501587  0.050607  0.634322  1
  Ni  Ni96  1  0.501587  0.726862  0.608328  1
  Ni  Ni97  1  0.501587  0.134811  0.719184  1
  Ni  Ni98  1  0.501587  0.807915  0.694345  1
  Ni  Ni99  1  0.501587  0.485221  0.668869  1
  Ni  Ni100  1  1.001587  0.199302  0.685188  1
  Ni  Ni101  1  1.001587  0.875484  0.660578  1
  Ni  Ni102  1  1.001587  0.525558  0.710459  1
  Ni  Ni103  1  1.001587  0.310046  0.693741  1
  Ni  Ni104  1  1.001587  0.985235  0.669053  1
  Ni  Ni105  1  1.001587  0.636086  0.718128  1
  Ni  Ni106  1  0.501587  0.376356  0.660178  1
  Ni  Ni107  1  0.501587  0.024380  0.710802  1
  Ni  Ni108  1  0.501587  0.699662  0.684965  1
