# generated using pymatgen
data_Zr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33493780
_cell_length_b   14.42825127
_cell_length_c   52.18704779
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ni
_chemical_formula_sum   'Zr64 Ni32'
_cell_volume   4017.03658078
_cell_formula_units_Z   32
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  0.001217  0.427768  0.365693  1
  Zr  Zr2  1  0.001217  0.030314  0.308663  1
  Zr  Zr3  1  0.501217  0.904146  0.292677  1
  Zr  Zr4  1  0.501217  0.290926  0.347468  1
  Zr  Zr5  1  0.001217  0.800796  0.301156  1
  Zr  Zr6  1  0.001217  0.194363  0.355944  1
  Zr  Zr7  1  0.501217  0.460109  0.392681  1
  Zr  Zr8  1  0.501217  0.062420  0.336962  1
  Zr  Zr9  1  0.501217  0.725802  0.334421  1
  Zr  Zr10  1  0.501217  0.318140  0.284261  1
  Zr  Zr11  1  0.001217  0.589892  0.318454  1
  Zr  Zr12  1  0.001217  0.992544  0.374087  1
  Zr  Zr13  1  0.501217  0.491902  0.328126  1
  Zr  Zr14  1  0.501217  0.893192  0.382727  1
  Zr  Zr15  1  0.001217  0.758906  0.363649  1
  Zr  Zr16  1  0.001217  0.355370  0.310414  1
  Zr  Zr17  1  0.001217  0.227081  0.476770  1
  Zr  Zr18  1  0.001217  0.826821  0.420303  1
  Zr  Zr19  1  0.501217  0.692277  0.401037  1
  Zr  Zr20  1  0.501217  0.091977  0.457922  1
  Zr  Zr21  1  0.001217  0.595130  0.411033  1
  Zr  Zr22  1  0.001217  0.993910  0.466694  1
  Zr  Zr23  1  0.501217  0.259726  0.504046  1
  Zr  Zr24  1  0.501217  0.858955  0.447716  1
  Zr  Zr25  1  0.501217  0.528386  0.448601  1
  Zr  Zr26  1  0.501217  0.126205  0.393514  1
  Zr  Zr27  1  0.001217  0.393101  0.430249  1
  Zr  Zr28  1  0.001217  0.792086  0.485269  1
  Zr  Zr29  1  0.501217  0.294646  0.439480  1
  Zr  Zr30  1  0.501217  0.694619  0.494739  1
  Zr  Zr31  1  0.001217  0.559885  0.475989  1
  Zr  Zr32  1  0.001217  0.159260  0.420579  1
  Zr  Zr33  1  0.001217  0.027349  0.587684  1
  Zr  Zr34  1  0.001217  0.627268  0.532152  1
  Zr  Zr35  1  0.501217  0.492420  0.513398  1
  Zr  Zr36  1  0.501217  0.892114  0.568784  1
  Zr  Zr37  1  0.001217  0.394683  0.522806  1
  Zr  Zr38  1  0.001217  0.793883  0.578148  1
  Zr  Zr39  1  0.501217  0.060187  0.614760  1
  Zr  Zr40  1  0.501217  0.658897  0.559555  1
  Zr  Zr41  1  0.501217  0.327679  0.560344  1
  Zr  Zr42  1  0.501217  0.926900  0.504128  1
  Zr  Zr43  1  0.001217  0.192649  0.541467  1
  Zr  Zr44  1  0.001217  0.591939  0.596986  1
  Zr  Zr45  1  0.501217  0.094587  0.550300  1
  Zr  Zr46  1  0.501217  0.494415  0.606736  1
  Zr  Zr47  1  0.001217  0.359931  0.587666  1
  Zr  Zr48  1  0.001217  0.959464  0.531455  1
  Zr  Zr49  1  0.001217  0.831096  0.698317  1
  Zr  Zr50  1  0.001217  0.427872  0.644130  1
  Zr  Zr51  1  0.501217  0.293853  0.625285  1
  Zr  Zr52  1  0.501217  0.696541  0.680432  1
  Zr  Zr53  1  0.001217  0.194345  0.633969  1
  Zr  Zr54  1  0.001217  0.596359  0.688521  1
  Zr  Zr55  1  0.501217  0.878647  0.722572  1
  Zr  Zr56  1  0.501217  0.463113  0.673740  1
  Zr  Zr57  1  0.501217  0.125835  0.671080  1
  Zr  Zr58  1  0.501217  0.726818  0.615686  1
  Zr  Zr59  1  0.001217  0.992375  0.652502  1
  Zr  Zr60  1  0.001217  0.387990  0.706890  1
  Zr  Zr61  1  0.501217  0.895351  0.661172  1
  Zr  Zr62  1  0.501217  0.284256  0.715330  1
  Zr  Zr63  1  0.001217  0.158940  0.699362  1
  Zr  Zr64  1  0.001217  0.759424  0.643075  1
  Ni  Ni65  1  0.251006  0.895323  0.336582  1
  Ni  Ni66  1  0.251714  0.482926  0.282740  1
  Ni  Ni67  1  0.751427  0.895323  0.336582  1
  Ni  Ni68  1  0.750719  0.482926  0.282740  1
  Ni  Ni69  1  0.750957  0.594543  0.364221  1
  Ni  Ni70  1  0.751157  0.191994  0.310275  1
  Ni  Ni71  1  0.251476  0.594543  0.364221  1
  Ni  Ni72  1  0.251276  0.191994  0.310275  1
  Ni  Ni73  1  0.251656  0.693630  0.448043  1
  Ni  Ni74  1  0.250904  0.293611  0.393627  1
  Ni  Ni75  1  0.750777  0.693630  0.448043  1
  Ni  Ni76  1  0.751529  0.293611  0.393627  1
  Ni  Ni77  1  0.751168  0.393738  0.476416  1
  Ni  Ni78  1  0.751032  0.992480  0.420377  1
  Ni  Ni79  1  0.251265  0.393738  0.476416  1
  Ni  Ni80  1  0.251401  0.992480  0.420377  1
  Ni  Ni81  1  0.251542  0.493366  0.559968  1
  Ni  Ni82  1  0.250914  0.093256  0.504106  1
  Ni  Ni83  1  0.750891  0.493366  0.559968  1
  Ni  Ni84  1  0.751519  0.093256  0.504106  1
  Ni  Ni85  1  0.750887  0.194067  0.587762  1
  Ni  Ni86  1  0.751351  0.793190  0.531795  1
  Ni  Ni87  1  0.251546  0.194067  0.587762  1
  Ni  Ni88  1  0.251082  0.793190  0.531795  1
  Ni  Ni89  1  0.251142  0.293047  0.671394  1
  Ni  Ni90  1  0.250903  0.893076  0.614776  1
  Ni  Ni91  1  0.751292  0.293047  0.671394  1
  Ni  Ni92  1  0.751530  0.893076  0.614776  1
  Ni  Ni93  1  0.753035  0.996550  0.697757  1
  Ni  Ni94  1  0.750030  0.593114  0.643871  1
  Ni  Ni95  1  0.249398  0.996550  0.697757  1
  Ni  Ni96  1  0.252403  0.593114  0.643871  1
