# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.52025053
_cell_length_b   18.75555174
_cell_length_c   48.29693747
_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   'Cr28 Ni56'
_cell_volume   2282.93292395
_cell_formula_units_Z   28
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  1.001073  0.456640  0.280870  1
  Cr  Cr2  1  1.001073  0.890589  0.314180  1
  Cr  Cr3  1  0.501073  0.110634  0.328470  1
  Cr  Cr4  1  0.501073  0.669126  0.296513  1
  Cr  Cr5  1  1.001073  0.328564  0.346154  1
  Cr  Cr6  1  1.001073  0.768802  0.376481  1
  Cr  Cr7  1  0.501073  0.987955  0.392550  1
  Cr  Cr8  1  0.501073  0.548565  0.361488  1
  Cr  Cr9  1  1.001073  0.208308  0.407516  1
  Cr  Cr10  1  1.001073  0.647895  0.439153  1
  Cr  Cr11  1  0.501073  0.867553  0.454714  1
  Cr  Cr12  1  0.501073  0.428052  0.423584  1
  Cr  Cr13  1  1.001073  0.087165  0.470316  1
  Cr  Cr14  1  1.001073  0.526564  0.501500  1
  Cr  Cr15  1  0.501073  0.746521  0.517236  1
  Cr  Cr16  1  0.501073  0.306656  0.485881  1
  Cr  Cr17  1  1.001073  0.965972  0.532954  1
  Cr  Cr18  1  1.001073  0.405239  0.563916  1
  Cr  Cr19  1  0.501073  0.625061  0.579329  1
  Cr  Cr20  1  0.501073  0.185519  0.548553  1
  Cr  Cr21  1  1.001073  0.844707  0.595808  1
  Cr  Cr22  1  1.001073  0.284722  0.626761  1
  Cr  Cr23  1  0.501073  0.504059  0.641665  1
  Cr  Cr24  1  0.501073  0.065304  0.610682  1
  Cr  Cr25  1  1.001073  0.725012  0.656307  1
  Cr  Cr26  1  1.001073  0.162851  0.689043  1
  Cr  Cr27  1  0.501073  0.384864  0.706146  1
  Cr  Cr28  1  0.501073  0.941970  0.675108  1
  Ni  Ni29  1  0.501073  0.004427  0.299218  1
  Ni  Ni30  1  0.501073  0.444232  0.330517  1
  Ni  Ni31  1  1.001073  0.994920  0.345438  1
  Ni  Ni32  1  1.001073  0.555043  0.314762  1
  Ni  Ni33  1  1.001073  0.226956  0.313964  1
  Ni  Ni34  1  1.001073  0.787909  0.283513  1
  Ni  Ni35  1  0.501073  0.338707  0.298724  1
  Ni  Ni36  1  0.501073  0.773337  0.329154  1
  Ni  Ni37  1  0.501073  0.883811  0.361436  1
  Ni  Ni38  1  0.501073  0.323310  0.392933  1
  Ni  Ni39  1  1.001073  0.873076  0.407414  1
  Ni  Ni40  1  1.001073  0.433860  0.376374  1
  Ni  Ni41  1  1.001073  0.103611  0.376687  1
  Ni  Ni42  1  1.001073  0.664321  0.345683  1
  Ni  Ni43  1  0.501073  0.213966  0.360216  1
  Ni  Ni44  1  0.501073  0.653857  0.391751  1
  Ni  Ni45  1  0.501073  0.762859  0.423924  1
  Ni  Ni46  1  0.501073  0.202119  0.455041  1
  Ni  Ni47  1  1.001073  0.752504  0.469908  1
  Ni  Ni48  1  1.001073  0.312538  0.438651  1
  Ni  Ni49  1  1.001073  0.982619  0.439641  1
  Ni  Ni50  1  1.001073  0.543261  0.408509  1
  Ni  Ni51  1  0.501073  0.093259  0.422840  1
  Ni  Ni52  1  0.501073  0.532651  0.454340  1
  Ni  Ni53  1  0.501073  0.641954  0.486404  1
  Ni  Ni54  1  0.501073  0.081119  0.517672  1
  Ni  Ni55  1  1.001073  0.631225  0.532231  1
  Ni  Ni56  1  1.001073  0.191615  0.501116  1
  Ni  Ni57  1  1.001073  0.861546  0.502124  1
  Ni  Ni58  1  1.001073  0.421887  0.470779  1
  Ni  Ni59  1  0.501073  0.972009  0.485585  1
  Ni  Ni60  1  0.501073  0.411194  0.516657  1
  Ni  Ni61  1  0.501073  0.520388  0.548673  1
  Ni  Ni62  1  0.501073  0.959810  0.580480  1
  Ni  Ni63  1  1.001073  0.509850  0.594551  1
  Ni  Ni64  1  1.001073  0.070496  0.563629  1
  Ni  Ni65  1  1.001073  0.740727  0.564409  1
  Ni  Ni66  1  1.001073  0.300583  0.533232  1
  Ni  Ni67  1  0.501073  0.851036  0.548192  1
  Ni  Ni68  1  0.501073  0.290330  0.579246  1
  Ni  Ni69  1  0.501073  0.399221  0.611298  1
  Ni  Ni70  1  0.501073  0.839335  0.643083  1
  Ni  Ni71  1  1.001073  0.389834  0.657523  1
  Ni  Ni72  1  1.001073  0.949558  0.626684  1
  Ni  Ni73  1  1.001073  0.618872  0.626570  1
  Ni  Ni74  1  1.001073  0.180271  0.595863  1
  Ni  Ni75  1  0.501073  0.729635  0.609979  1
  Ni  Ni76  1  0.501073  0.169405  0.641805  1
  Ni  Ni77  1  0.501073  0.280174  0.673893  1
  Ni  Ni78  1  0.501073  0.712071  0.703641  1
  Ni  Ni79  1  1.001073  0.266086  0.719487  1
  Ni  Ni80  1  1.001073  0.824546  0.689349  1
  Ni  Ni81  1  1.001073  0.501472  0.689169  1
  Ni  Ni82  1  1.001073  0.058129  0.657862  1
  Ni  Ni83  1  0.501073  0.609143  0.672106  1
  Ni  Ni84  1  0.501073  0.048916  0.704006  1
