# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52384140
_cell_length_b   7.89670330
_cell_length_c   46.56728087
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.77191739
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2
_chemical_formula_sum   'Cr20 Ni40'
_cell_volume   1637.10728126
_cell_formula_units_Z   20
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  0.119757  0.506456  0.284421  1
  Cr  Cr2  1  0.466759  0.988276  0.305399  1
  Cr  Cr3  1  0.823252  0.450079  0.328795  1
  Cr  Cr4  1  0.189306  0.913417  0.350412  1
  Cr  Cr5  1  0.544144  0.375370  0.372534  1
  Cr  Cr6  1  0.900193  0.839394  0.394151  1
  Cr  Cr7  1  0.255554  0.303106  0.415875  1
  Cr  Cr8  1  0.611981  0.766834  0.437617  1
  Cr  Cr9  1  0.968233  0.230552  0.459361  1
  Cr  Cr10  1  0.324569  0.694266  0.481109  1
  Cr  Cr11  1  0.680850  0.157981  0.502863  1
  Cr  Cr12  1  0.037241  0.621707  0.524603  1
  Cr  Cr13  1  0.393388  0.085422  0.546371  1
  Cr  Cr14  1  0.749901  0.549109  0.568072  1
  Cr  Cr15  1  0.106120  0.012914  0.589914  1
  Cr  Cr16  1  0.461156  0.476387  0.611422  1
  Cr  Cr17  1  0.816359  0.940713  0.633400  1
  Cr  Cr18  1  0.174352  0.402650  0.655204  1
  Cr  Cr19  1  0.527151  0.866936  0.677335  1
  Cr  Cr20  1  0.896290  0.330802  0.700146  1
  Ni  Ni21  1  0.374391  0.291891  0.322606  1
  Ni  Ni22  1  0.919668  0.145900  0.314259  1
  Ni  Ni23  1  0.016684  0.825489  0.300284  1
  Ni  Ni24  1  0.563717  0.675491  0.293695  1
  Ni  Ni25  1  0.091227  0.216309  0.365165  1
  Ni  Ni26  1  0.638092  0.070021  0.357973  1
  Ni  Ni27  1  0.734967  0.754783  0.343281  1
  Ni  Ni28  1  0.277608  0.608913  0.336700  1
  Ni  Ni29  1  0.804770  0.143859  0.408420  1
  Ni  Ni30  1  0.350417  0.998307  0.401590  1
  Ni  Ni31  1  0.448433  0.680617  0.386654  1
  Ni  Ni32  1  0.993145  0.534836  0.379734  1
  Ni  Ni33  1  0.517587  0.071530  0.451904  1
  Ni  Ni34  1  0.062716  0.925825  0.445102  1
  Ni  Ni35  1  0.161276  0.607790  0.430131  1
  Ni  Ni36  1  0.706448  0.462198  0.423349  1
  Ni  Ni37  1  0.230227  0.998983  0.495395  1
  Ni  Ni38  1  0.775231  0.853279  0.488585  1
  Ni  Ni39  1  0.873936  0.535271  0.473645  1
  Ni  Ni40  1  0.418928  0.389560  0.466834  1
  Ni  Ni41  1  0.942849  0.926457  0.538885  1
  Ni  Ni42  1  0.487875  0.780747  0.532070  1
  Ni  Ni43  1  0.586520  0.462677  0.517133  1
  Ni  Ni44  1  0.131476  0.316966  0.510322  1
  Ni  Ni45  1  0.655454  0.853948  0.582355  1
  Ni  Ni46  1  0.200605  0.708420  0.575547  1
  Ni  Ni47  1  0.298903  0.390053  0.560608  1
  Ni  Ni48  1  0.844073  0.244325  0.553840  1
  Ni  Ni49  1  0.369014  0.781379  0.625886  1
  Ni  Ni50  1  0.913630  0.636121  0.618860  1
  Ni  Ni51  1  0.011239  0.317577  0.604192  1
  Ni  Ni52  1  0.556726  0.171781  0.597390  1
  Ni  Ni53  1  0.083008  0.708531  0.668456  1
  Ni  Ni54  1  0.632094  0.559591  0.661539  1
  Ni  Ni55  1  0.726170  0.244545  0.647853  1
  Ni  Ni56  1  0.269026  0.099135  0.640857  1
  Ni  Ni57  1  0.799967  0.647279  0.711147  1
  Ni  Ni58  1  0.344422  0.503651  0.705202  1
  Ni  Ni59  1  0.443724  0.176777  0.691065  1
  Ni  Ni60  1  0.988774  0.020605  0.684448  1
