# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.29903956
_cell_length_b   5.30408959
_cell_length_c   49.19644477
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.54608600
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi
_chemical_formula_sum   'Zr36 Ni36'
_cell_volume   2642.84697388
_cell_formula_units_Z   36
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
  Zr  Zr1  1  0.215584  0.188714  0.311982  1
  Zr  Zr2  1  0.486846  0.924006  0.277539  1
  Zr  Zr3  1  0.715235  0.188514  0.309367  1
  Zr  Zr4  1  0.009104  0.912254  0.277782  1
  Zr  Zr5  1  0.136889  0.865330  0.366356  1
  Zr  Zr6  1  0.397264  0.628244  0.328767  1
  Zr  Zr7  1  0.637212  0.871795  0.365543  1
  Zr  Zr8  1  0.895005  0.625508  0.328495  1
  Zr  Zr9  1  0.079669  0.472332  0.414451  1
  Zr  Zr10  1  0.357711  0.261395  0.377940  1
  Zr  Zr11  1  0.580907  0.473704  0.413769  1
  Zr  Zr12  1  0.860122  0.257247  0.378404  1
  Zr  Zr13  1  0.057886  0.179575  0.469039  1
  Zr  Zr14  1  0.287322  0.884143  0.428611  1
  Zr  Zr15  1  0.558064  0.181489  0.468717  1
  Zr  Zr16  1  0.786321  0.882915  0.428771  1
  Zr  Zr17  1  0.987949  0.790608  0.517004  1
  Zr  Zr18  1  0.271393  0.583338  0.483193  1
  Zr  Zr19  1  0.487934  0.792140  0.516800  1
  Zr  Zr20  1  0.771408  0.581807  0.483397  1
  Zr  Zr21  1  0.972020  0.489803  0.571585  1
  Zr  Zr22  1  0.201456  0.194371  0.531158  1
  Zr  Zr23  1  0.473021  0.491031  0.571425  1
  Zr  Zr24  1  0.701278  0.192458  0.531479  1
  Zr  Zr25  1  0.901631  0.112551  0.622256  1
  Zr  Zr26  1  0.179673  0.901615  0.585746  1
  Zr  Zr27  1  0.399220  0.116699  0.621793  1
  Zr  Zr28  1  0.678435  0.900242  0.586428  1
  Zr  Zr29  1  0.862078  0.745703  0.671429  1
  Zr  Zr30  1  0.122454  0.508617  0.633841  1
  Zr  Zr31  1  0.364337  0.748438  0.671701  1
  Zr  Zr32  1  0.622130  0.502152  0.634654  1
  Zr  Zr33  1  0.772496  0.449940  0.722657  1
  Zr  Zr34  1  0.043758  0.185233  0.688214  1
  Zr  Zr35  1  0.250238  0.461692  0.722414  1
  Zr  Zr36  1  0.544107  0.185432  0.690830  1
  Ni  Ni37  1  0.491252  0.410425  0.284930  1
  Ni  Ni38  1  0.139043  0.682717  0.315982  1
  Ni  Ni39  1  0.999859  0.403470  0.285433  1
  Ni  Ni40  1  0.637479  0.688652  0.314293  1
  Ni  Ni41  1  0.476041  0.107835  0.327293  1
  Ni  Ni42  1  0.097960  0.390488  0.357826  1
  Ni  Ni43  1  0.972813  0.103034  0.327549  1
  Ni  Ni44  1  0.603453  0.394759  0.356707  1
  Ni  Ni45  1  0.406781  0.743092  0.380846  1
  Ni  Ni46  1  0.022483  0.988587  0.417429  1
  Ni  Ni47  1  0.904765  0.739736  0.380943  1
  Ni  Ni48  1  0.522754  0.991649  0.416876  1
  Ni  Ni49  1  0.342906  0.360466  0.435802  1
  Ni  Ni50  1  0.005189  0.704252  0.461065  1
  Ni  Ni51  1  0.842227  0.358614  0.435954  1
  Ni  Ni52  1  0.505984  0.705486  0.460691  1
  Ni  Ni53  1  0.323058  0.072065  0.479836  1
  Ni  Ni54  1  0.936284  0.301881  0.520360  1
  Ni  Ni55  1  0.822429  0.070641  0.480170  1
  Ni  Ni56  1  0.436913  0.303306  0.520026  1
  Ni  Ni57  1  0.254153  0.669694  0.539131  1
  Ni  Ni58  1  0.916436  0.013480  0.564395  1
  Ni  Ni59  1  0.753358  0.668460  0.539506  1
  Ni  Ni60  1  0.417116  0.015332  0.564243  1
  Ni  Ni61  1  0.236859  0.385360  0.582767  1
  Ni  Ni62  1  0.852561  0.630854  0.619351  1
  Ni  Ni63  1  0.736588  0.382297  0.583321  1
  Ni  Ni64  1  0.354577  0.634210  0.619253  1
  Ni  Ni65  1  0.161382  0.983458  0.642370  1
  Ni  Ni66  1  0.783301  0.266111  0.672903  1
  Ni  Ni67  1  0.655889  0.979187  0.643489  1
  Ni  Ni68  1  0.286529  0.270912  0.672648  1
  Ni  Ni69  1  0.120299  0.691230  0.684215  1
  Ni  Ni70  1  0.768090  0.963521  0.715266  1
  Ni  Ni71  1  0.621863  0.685294  0.685903  1
  Ni  Ni72  1  0.259483  0.970476  0.714764  1
