# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.81847004
_cell_length_b   7.58606204
_cell_length_c   49.57671370
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi
_chemical_formula_sum   'Zr48 Ni48'
_cell_volume   3692.64829018
_cell_formula_units_Z   48
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  0.645592  0.031034  0.348633  1
  Zr  Zr2  1  0.641710  0.366016  0.311631  1
  Zr  Zr3  1  0.855108  0.707287  0.329062  1
  Zr  Zr4  1  0.879030  0.055552  0.295059  1
  Zr  Zr5  1  0.125038  0.555552  0.295059  1
  Zr  Zr6  1  0.148959  0.207287  0.329062  1
  Zr  Zr7  1  0.362357  0.866016  0.311631  1
  Zr  Zr8  1  0.358476  0.531034  0.348633  1
  Zr  Zr9  1  0.640864  0.343598  0.419024  1
  Zr  Zr10  1  0.638303  0.686129  0.382861  1
  Zr  Zr11  1  0.865506  0.017262  0.401510  1
  Zr  Zr12  1  0.864108  0.362811  0.365733  1
  Zr  Zr13  1  0.139959  0.862811  0.365733  1
  Zr  Zr14  1  0.138561  0.517262  0.401510  1
  Zr  Zr15  1  0.365764  0.186129  0.382861  1
  Zr  Zr16  1  0.363204  0.843598  0.419024  1
  Zr  Zr17  1  0.640169  0.660003  0.490837  1
  Zr  Zr18  1  0.640563  1.002511  0.455052  1
  Zr  Zr19  1  0.863649  0.331786  0.473100  1
  Zr  Zr20  1  0.862281  0.674135  0.437158  1
  Zr  Zr21  1  0.141787  0.174135  0.437158  1
  Zr  Zr22  1  0.140418  0.831786  0.473100  1
  Zr  Zr23  1  0.363505  0.502511  0.455052  1
  Zr  Zr24  1  0.363898  0.160003  0.490837  1
  Zr  Zr25  1  0.641787  0.975226  0.562550  1
  Zr  Zr26  1  0.640418  0.317576  0.526608  1
  Zr  Zr27  1  0.863505  0.646851  0.544657  1
  Zr  Zr28  1  0.863898  0.989359  0.508871  1
  Zr  Zr29  1  0.140169  0.489359  0.508871  1
  Zr  Zr30  1  0.140563  0.146851  0.544657  1
  Zr  Zr31  1  0.363649  0.817576  0.526608  1
  Zr  Zr32  1  0.362281  0.475226  0.562550  1
  Zr  Zr33  1  0.639959  0.286550  0.633975  1
  Zr  Zr34  1  0.638561  0.632100  0.598198  1
  Zr  Zr35  1  0.865764  0.963232  0.616847  1
  Zr  Zr36  1  0.863204  0.305763  0.580685  1
  Zr  Zr37  1  0.140864  0.805763  0.580685  1
  Zr  Zr38  1  0.138303  0.463232  0.616847  1
  Zr  Zr39  1  0.365506  0.132100  0.598198  1
  Zr  Zr40  1  0.364108  0.786550  0.633975  1
  Zr  Zr41  1  0.625038  0.593810  0.704650  1
  Zr  Zr42  1  0.648959  0.942075  0.670647  1
  Zr  Zr43  1  0.862357  0.283345  0.688077  1
  Zr  Zr44  1  0.858476  0.618328  0.651075  1
  Zr  Zr45  1  0.145592  0.118328  0.651075  1
  Zr  Zr46  1  0.141710  0.783345  0.688077  1
  Zr  Zr47  1  0.355108  0.442075  0.670647  1
  Zr  Zr48  1  0.379030  0.093810  0.704650  1
  Ni  Ni49  1  0.924233  0.037250  0.347052  1
  Ni  Ni50  1  0.918083  0.364996  0.314338  1
  Ni  Ni51  1  0.577934  0.695005  0.328249  1
  Ni  Ni52  1  0.604453  0.997136  0.298425  1
  Ni  Ni53  1  0.399615  0.497136  0.298425  1
  Ni  Ni54  1  0.426134  0.195005  0.328249  1
  Ni  Ni55  1  0.085984  0.864996  0.314338  1
  Ni  Ni56  1  0.079835  0.537250  0.347052  1
  Ni  Ni57  1  0.921266  0.343257  0.419742  1
  Ni  Ni58  1  0.918849  0.693702  0.382826  1
  Ni  Ni59  1  0.583716  0.011111  0.401916  1
  Ni  Ni60  1  0.581491  0.364035  0.364124  1
  Ni  Ni61  1  0.422576  0.864035  0.364124  1
  Ni  Ni62  1  0.420352  0.511111  0.401916  1
  Ni  Ni63  1  0.085219  0.193702  0.382826  1
  Ni  Ni64  1  0.082802  0.843257  0.419742  1
  Ni  Ni65  1  0.920818  0.660969  0.490957  1
  Ni  Ni66  1  0.921281  0.003868  0.455077  1
  Ni  Ni67  1  0.583048  0.331638  0.472810  1
  Ni  Ni68  1  0.582961  0.673847  0.436931  1
  Ni  Ni69  1  0.421106  0.173847  0.436931  1
  Ni  Ni70  1  0.421020  0.831638  0.472810  1
  Ni  Ni71  1  0.082787  0.503868  0.455077  1
  Ni  Ni72  1  0.083249  0.160969  0.490957  1
  Ni  Ni73  1  0.921106  0.975514  0.562777  1
  Ni  Ni74  1  0.921020  0.317724  0.526899  1
  Ni  Ni75  1  0.582787  0.645493  0.544632  1
  Ni  Ni76  1  0.583249  0.988392  0.508752  1
  Ni  Ni77  1  0.420818  0.488392  0.508752  1
  Ni  Ni78  1  0.421281  0.145493  0.544632  1
  Ni  Ni79  1  0.083048  0.817724  0.526899  1
  Ni  Ni80  1  0.082961  0.475514  0.562777  1
  Ni  Ni81  1  0.922576  0.285327  0.635584  1
  Ni  Ni82  1  0.920352  0.638251  0.597793  1
  Ni  Ni83  1  0.585219  0.955660  0.616883  1
  Ni  Ni84  1  0.582802  0.306104  0.579967  1
  Ni  Ni85  1  0.421266  0.806104  0.579967  1
  Ni  Ni86  1  0.418849  0.455660  0.616883  1
  Ni  Ni87  1  0.083716  0.138251  0.597793  1
  Ni  Ni88  1  0.081491  0.785327  0.635584  1
  Ni  Ni89  1  0.899615  0.652225  0.701283  1
  Ni  Ni90  1  0.926134  0.954357  0.671460  1
  Ni  Ni91  1  0.585984  0.284366  0.685371  1
  Ni  Ni92  1  0.579835  0.612112  0.652656  1
  Ni  Ni93  1  0.424233  0.112112  0.652656  1
  Ni  Ni94  1  0.418083  0.784366  0.685371  1
  Ni  Ni95  1  0.077934  0.454357  0.671460  1
  Ni  Ni96  1  0.104453  0.152225  0.701283  1
