# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.74193026
_cell_length_b   7.50362056
_cell_length_c   45.54712342
_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   'Cr16 Ni32'
_cell_volume   1278.87326237
_cell_formula_units_Z   16
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  1.004458  -0.000586  0.288814  1
  Cr  Cr2  1  0.504458  0.499414  0.318652  1
  Cr  Cr3  1  1.004458  -0.000586  0.345680  1
  Cr  Cr4  1  0.504458  0.499414  0.374007  1
  Cr  Cr5  1  1.004458  -0.000586  0.401679  1
  Cr  Cr6  1  0.504458  0.499414  0.429568  1
  Cr  Cr7  1  1.004458  -0.000586  0.457353  1
  Cr  Cr8  1  0.504458  0.499414  0.485164  1
  Cr  Cr9  1  1.004458  -0.000586  0.512964  1
  Cr  Cr10  1  0.504458  0.499414  0.540775  1
  Cr  Cr11  1  1.004458  -0.000586  0.568560  1
  Cr  Cr12  1  0.504458  0.499414  0.596449  1
  Cr  Cr13  1  1.004458  -0.000586  0.624121  1
  Cr  Cr14  1  0.504458  0.499414  0.652448  1
  Cr  Cr15  1  1.004458  -0.000586  0.679476  1
  Cr  Cr16  1  0.504458  0.499414  0.709315  1
  Ni  Ni17  1  0.504458  0.829988  0.318695  1
  Ni  Ni18  1  1.004458  0.666461  0.291727  1
  Ni  Ni19  1  1.004458  0.332367  0.291727  1
  Ni  Ni20  1  0.504458  0.168839  0.318695  1
  Ni  Ni21  1  0.504458  0.828111  0.373960  1
  Ni  Ni22  1  1.004458  0.671195  0.346483  1
  Ni  Ni23  1  1.004458  0.327633  0.346483  1
  Ni  Ni24  1  0.504458  0.170717  0.373960  1
  Ni  Ni25  1  0.504458  0.827804  0.429560  1
  Ni  Ni26  1  1.004458  0.671279  0.401798  1
  Ni  Ni27  1  1.004458  0.327549  0.401798  1
  Ni  Ni28  1  0.504458  0.171023  0.429560  1
  Ni  Ni29  1  0.504458  0.827739  0.485163  1
  Ni  Ni30  1  1.004458  0.671123  0.457366  1
  Ni  Ni31  1  1.004458  0.327705  0.457366  1
  Ni  Ni32  1  0.504458  0.171089  0.485163  1
  Ni  Ni33  1  0.504458  0.827705  0.540763  1
  Ni  Ni34  1  1.004458  0.671089  0.512965  1
  Ni  Ni35  1  1.004458  0.327739  0.512965  1
  Ni  Ni36  1  0.504458  0.171123  0.540763  1
  Ni  Ni37  1  0.504458  0.827549  0.596330  1
  Ni  Ni38  1  1.004458  0.671023  0.568568  1
  Ni  Ni39  1  1.004458  0.327804  0.568568  1
  Ni  Ni40  1  0.504458  0.171279  0.596330  1
  Ni  Ni41  1  0.504458  0.827633  0.651645  1
  Ni  Ni42  1  1.004458  0.670717  0.624168  1
  Ni  Ni43  1  1.004458  0.328111  0.624168  1
  Ni  Ni44  1  0.504458  0.171195  0.651645  1
  Ni  Ni45  1  0.504458  0.832367  0.706401  1
  Ni  Ni46  1  1.004458  0.668839  0.679433  1
  Ni  Ni47  1  1.004458  0.329988  0.679433  1
  Ni  Ni48  1  0.504458  0.166461  0.706401  1
