# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.52011710
_cell_length_b   8.26833045
_cell_length_c   50.45394078
_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   'Cr14 Ni28'
_cell_volume   1051.31688588
_cell_formula_units_Z   14
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  0.008145  0.155273  0.307662  1
  Cr  Cr2  1  0.508145  0.655273  0.307662  1
  Cr  Cr3  1  1.008145  0.976473  0.370127  1
  Cr  Cr4  1  0.508145  0.476473  0.370127  1
  Cr  Cr5  1  1.008145  0.799292  0.432572  1
  Cr  Cr6  1  0.508145  0.299292  0.432572  1
  Cr  Cr7  1  0.008145  0.622115  0.495185  1
  Cr  Cr8  1  0.508145  0.122115  0.495185  1
  Cr  Cr9  1  1.008145  0.444937  0.557798  1
  Cr  Cr10  1  0.508145  0.944937  0.557798  1
  Cr  Cr11  1  1.008145  0.267756  0.620243  1
  Cr  Cr12  1  0.508145  0.767756  0.620243  1
  Cr  Cr13  1  1.008145  0.088957  0.682708  1
  Cr  Cr14  1  0.508145  0.588957  0.682708  1
  Ni  Ni15  1  0.508145  0.385373  0.287318  1
  Ni  Ni16  1  1.008145  0.426968  0.328513  1
  Ni  Ni17  1  0.008145  0.885373  0.287318  1
  Ni  Ni18  1  0.508145  0.926968  0.328513  1
  Ni  Ni19  1  0.508145  0.202978  0.349115  1
  Ni  Ni20  1  1.008145  0.249521  0.390735  1
  Ni  Ni21  1  0.008145  0.702978  0.349115  1
  Ni  Ni22  1  0.508145  0.749521  0.390735  1
  Ni  Ni23  1  0.508145  0.026148  0.411867  1
  Ni  Ni24  1  0.008145  0.072518  0.453395  1
  Ni  Ni25  1  1.008145  0.526148  0.411867  1
  Ni  Ni26  1  0.508145  0.572518  0.453395  1
  Ni  Ni27  1  0.508145  0.848935  0.474399  1
  Ni  Ni28  1  1.008145  0.895294  0.515971  1
  Ni  Ni29  1  1.008145  0.348935  0.474399  1
  Ni  Ni30  1  0.508145  0.395294  0.515971  1
  Ni  Ni31  1  0.508145  0.671711  0.536975  1
  Ni  Ni32  1  1.008145  0.718081  0.578503  1
  Ni  Ni33  1  1.008145  0.171711  0.536975  1
  Ni  Ni34  1  0.508145  0.218081  0.578503  1
  Ni  Ni35  1  0.508145  0.494708  0.599635  1
  Ni  Ni36  1  1.008145  0.541251  0.641254  1
  Ni  Ni37  1  1.008145  0.994708  0.599635  1
  Ni  Ni38  1  0.508145  0.041251  0.641254  1
  Ni  Ni39  1  0.508145  0.317261  0.661856  1
  Ni  Ni40  1  1.008145  0.358856  0.703051  1
  Ni  Ni41  1  1.008145  0.817261  0.661856  1
  Ni  Ni42  1  0.508145  0.858856  0.703051  1
