# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75191163
_cell_length_b   9.01101563
_cell_length_c   46.23539586
_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   'Cr20 Ni40'
_cell_volume   1563.15096897
_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  1.003116  0.048409  0.273156  1
  Cr  Cr2  1  0.503116  0.467546  0.294845  1
  Cr  Cr3  1  1.003116  0.896287  0.320705  1
  Cr  Cr4  1  0.503116  0.317247  0.342995  1
  Cr  Cr5  1  1.003116  0.738444  0.365860  1
  Cr  Cr6  1  0.503116  0.160749  0.388495  1
  Cr  Cr7  1  1.003116  0.582489  0.411147  1
  Cr  Cr8  1  0.503116  0.004539  0.433947  1
  Cr  Cr9  1  1.003116  0.426577  0.456631  1
  Cr  Cr10  1  0.503116  0.848522  0.479388  1
  Cr  Cr11  1  1.003116  0.270529  0.502106  1
  Cr  Cr12  1  0.503116  0.692541  0.524833  1
  Cr  Cr13  1  1.003116  0.114449  0.547581  1
  Cr  Cr14  1  0.503116  0.536597  0.570264  1
  Cr  Cr15  1  1.003116  0.958376  0.593097  1
  Cr  Cr16  1  0.503116  0.380310  0.615625  1
  Cr  Cr17  1  1.003116  0.802649  0.638527  1
  Cr  Cr18  1  0.503116  0.223755  0.661227  1
  Cr  Cr19  1  1.003116  0.642955  0.683717  1
  Cr  Cr20  1  0.503116  0.072977  0.709001  1
  Ni  Ni21  1  0.503116  0.849208  0.282858  1
  Ni  Ni22  1  1.003116  0.670555  0.290819  1
  Ni  Ni23  1  1.003116  0.275215  0.305671  1
  Ni  Ni24  1  0.503116  0.090105  0.313111  1
  Ni  Ni25  1  0.503116  0.697115  0.328386  1
  Ni  Ni26  1  1.003116  0.513523  0.335492  1
  Ni  Ni27  1  1.003116  0.120522  0.350501  1
  Ni  Ni28  1  0.503116  0.934783  0.358667  1
  Ni  Ni29  1  0.503116  0.542034  0.372683  1
  Ni  Ni30  1  1.003116  0.356834  0.381220  1
  Ni  Ni31  1  1.003116  0.964541  0.395706  1
  Ni  Ni32  1  0.503116  0.778293  0.404107  1
  Ni  Ni33  1  0.503116  0.386861  0.418256  1
  Ni  Ni34  1  1.003116  0.200602  0.426798  1
  Ni  Ni35  1  1.003116  0.808505  0.441058  1
  Ni  Ni36  1  0.503116  0.622372  0.449553  1
  Ni  Ni37  1  0.503116  0.230743  0.463741  1
  Ni  Ni38  1  1.003116  0.044444  0.472279  1
  Ni  Ni39  1  1.003116  0.652616  0.486480  1
  Ni  Ni40  1  0.503116  0.466386  0.495007  1
  Ni  Ni41  1  0.503116  0.074673  0.509208  1
  Ni  Ni42  1  1.003116  0.888435  0.517737  1
  Ni  Ni43  1  1.003116  0.496622  0.531934  1
  Ni  Ni44  1  0.503116  0.310321  0.540465  1
  Ni  Ni45  1  0.503116  0.918654  0.554675  1
  Ni  Ni46  1  1.003116  0.732619  0.563160  1
  Ni  Ni47  1  1.003116  0.340457  0.577406  1
  Ni  Ni48  1  0.503116  0.154045  0.585950  1
  Ni  Ni49  1  0.503116  0.762771  0.600165  1
  Ni  Ni50  1  1.003116  0.577164  0.608453  1
  Ni  Ni51  1  1.003116  0.183831  0.622943  1
  Ni  Ni52  1  0.503116  0.998835  0.631572  1
  Ni  Ni53  1  0.503116  0.605895  0.645650  1
  Ni  Ni54  1  1.003116  0.419862  0.652937  1
  Ni  Ni55  1  1.003116  0.029184  0.668805  1
  Ni  Ni56  1  0.503116  0.843112  0.675824  1
  Ni  Ni57  1  0.503116  0.451459  0.691162  1
  Ni  Ni58  1  1.003116  0.274018  0.699507  1
  Ni  Ni59  1  1.003116  0.871884  0.713059  1
  Ni  Ni60  1  0.503116  0.687734  0.720727  1
