# generated using pymatgen
data_ZrNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.94287201
_cell_length_b   6.86337189
_cell_length_c   46.99772441
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi3
_chemical_formula_sum   'Zr24 Ni72'
_cell_volume   2884.63837752
_cell_formula_units_Z   24
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  0.167617  0.292091  0.304923  1
  Zr  Zr2  1  0.662372  0.991913  0.339594  1
  Zr  Zr3  1  0.340023  0.792091  0.304923  1
  Zr  Zr4  1  0.845269  0.491913  0.339594  1
  Zr  Zr5  1  0.170411  0.702477  0.376923  1
  Zr  Zr6  1  0.669982  0.410983  0.411979  1
  Zr  Zr7  1  0.337230  0.202477  0.376923  1
  Zr  Zr8  1  0.837659  0.910983  0.411979  1
  Zr  Zr9  1  0.169039  0.120891  0.448124  1
  Zr  Zr10  1  0.668968  0.828032  0.483686  1
  Zr  Zr11  1  0.338602  0.620891  0.448124  1
  Zr  Zr12  1  0.838673  0.328032  0.483686  1
  Zr  Zr13  1  0.168968  0.537914  0.519938  1
  Zr  Zr14  1  0.669039  0.245055  0.555500  1
  Zr  Zr15  1  0.338673  0.037914  0.519938  1
  Zr  Zr16  1  0.838602  0.745055  0.555500  1
  Zr  Zr17  1  0.169982  0.954963  0.591645  1
  Zr  Zr18  1  0.670411  0.663469  0.626700  1
  Zr  Zr19  1  0.337659  0.454963  0.591645  1
  Zr  Zr20  1  0.837230  0.163469  0.626700  1
  Zr  Zr21  1  0.162372  0.374033  0.664029  1
  Zr  Zr22  1  0.667617  0.073855  0.698701  1
  Zr  Zr23  1  0.345269  0.874033  0.664029  1
  Zr  Zr24  1  0.840023  0.573855  0.698701  1
  Ni  Ni25  1  0.166886  0.995373  0.340757  1
  Ni  Ni26  1  0.673643  0.291748  0.306005  1
  Ni  Ni27  1  0.074476  0.932587  0.291296  1
  Ni  Ni28  1  0.588057  0.633398  0.323905  1
  Ni  Ni29  1  0.340755  0.495373  0.340757  1
  Ni  Ni30  1  0.833998  0.791748  0.306005  1
  Ni  Ni31  1  0.415161  0.147692  0.323729  1
  Ni  Ni32  1  0.919368  0.850630  0.357551  1
  Ni  Ni33  1  0.433164  0.432587  0.291296  1
  Ni  Ni34  1  0.919584  0.133398  0.323905  1
  Ni  Ni35  1  0.092480  0.647692  0.323729  1
  Ni  Ni36  1  0.588273  0.350630  0.357551  1
  Ni  Ni37  1  0.166514  0.412062  0.412369  1
  Ni  Ni38  1  0.669074  0.702868  0.375618  1
  Ni  Ni39  1  0.089304  0.344127  0.358733  1
  Ni  Ni40  1  0.587538  0.054917  0.393989  1
  Ni  Ni41  1  0.341127  0.912062  0.412369  1
  Ni  Ni42  1  0.838567  0.202868  0.375618  1
  Ni  Ni43  1  0.422260  0.558760  0.393805  1
  Ni  Ni44  1  0.919773  0.267136  0.429524  1
  Ni  Ni45  1  0.418337  0.844127  0.358733  1
  Ni  Ni46  1  0.920103  0.554917  0.393989  1
  Ni  Ni47  1  0.085381  0.058760  0.393805  1
  Ni  Ni48  1  0.587867  0.767136  0.429524  1
  Ni  Ni49  1  0.166420  0.829311  0.484024  1
  Ni  Ni50  1  0.666323  0.119328  0.447804  1
  Ni  Ni51  1  0.087065  0.764769  0.430541  1
  Ni  Ni52  1  0.587973  0.472679  0.466037  1
  Ni  Ni53  1  0.341220  0.329311  0.484024  1
  Ni  Ni54  1  0.841317  0.619328  0.447804  1
  Ni  Ni55  1  0.419819  0.976213  0.465850  1
  Ni  Ni56  1  0.919761  0.684485  0.501419  1
  Ni  Ni57  1  0.420576  0.264769  0.430541  1
  Ni  Ni58  1  0.919667  0.972679  0.466037  1
  Ni  Ni59  1  0.087822  0.476213  0.465850  1
  Ni  Ni60  1  0.587879  0.184485  0.501419  1
  Ni  Ni61  1  0.166323  0.246618  0.555819  1
  Ni  Ni62  1  0.666420  0.536635  0.519600  1
  Ni  Ni63  1  0.087879  0.181461  0.502205  1
  Ni  Ni64  1  0.587822  0.889733  0.537774  1
  Ni  Ni65  1  0.341317  0.746618  0.555819  1
  Ni  Ni66  1  0.841220  0.036635  0.519600  1
  Ni  Ni67  1  0.419667  0.393267  0.537587  1
  Ni  Ni68  1  0.920576  0.101177  0.573083  1
  Ni  Ni69  1  0.419761  0.681461  0.502205  1
  Ni  Ni70  1  0.919819  0.389733  0.537774  1
  Ni  Ni71  1  0.087973  0.893267  0.537587  1
  Ni  Ni72  1  0.587065  0.601177  0.573083  1
  Ni  Ni73  1  0.169074  0.663078  0.628006  1
  Ni  Ni74  1  0.666514  0.953884  0.591254  1
  Ni  Ni75  1  0.087867  0.598810  0.574100  1
  Ni  Ni76  1  0.585381  0.307186  0.609818  1
  Ni  Ni77  1  0.338567  0.163078  0.628006  1
  Ni  Ni78  1  0.841127  0.453884  0.591254  1
  Ni  Ni79  1  0.420103  0.811029  0.609634  1
  Ni  Ni80  1  0.918337  0.521819  0.644891  1
  Ni  Ni81  1  0.419773  0.098810  0.574100  1
  Ni  Ni82  1  0.922260  0.807186  0.609818  1
  Ni  Ni83  1  0.087538  0.311029  0.609634  1
  Ni  Ni84  1  0.589304  0.021819  0.644891  1
  Ni  Ni85  1  0.173643  0.074198  0.697619  1
  Ni  Ni86  1  0.666886  0.370573  0.662867  1
  Ni  Ni87  1  0.088273  0.015316  0.646072  1
  Ni  Ni88  1  0.592480  0.718254  0.679894  1
  Ni  Ni89  1  0.333998  0.574198  0.697619  1
  Ni  Ni90  1  0.840755  0.870573  0.662867  1
  Ni  Ni91  1  0.419584  0.232548  0.679719  1
  Ni  Ni92  1  0.933164  0.933359  0.712327  1
  Ni  Ni93  1  0.419368  0.515316  0.646072  1
  Ni  Ni94  1  0.915161  0.218254  0.679894  1
  Ni  Ni95  1  0.088057  0.732548  0.679719  1
  Ni  Ni96  1  0.574476  0.433359  0.712327  1
