# generated using pymatgen
data_ZrNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18165722
_cell_length_b   10.03238487
_cell_length_c   51.57532703
_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   2681.11137408
_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  0.502023  0.865078  0.276365  1
  Zr  Zr2  1  1.002023  0.458491  0.314442  1
  Zr  Zr3  1  0.002023  0.086809  0.297865  1
  Zr  Zr4  1  0.502023  0.694191  0.340816  1
  Zr  Zr5  1  0.502023  0.056578  0.352592  1
  Zr  Zr6  1  1.002023  0.656044  0.391282  1
  Zr  Zr7  1  0.002023  0.287467  0.377595  1
  Zr  Zr8  1  0.502023  0.886717  0.417170  1
  Zr  Zr9  1  0.502023  0.251677  0.429162  1
  Zr  Zr10  1  0.002023  0.849028  0.468274  1
  Zr  Zr11  1  1.002023  0.481031  0.454941  1
  Zr  Zr12  1  0.502023  0.078817  0.494161  1
  Zr  Zr13  1  0.502023  0.444190  0.506363  1
  Zr  Zr14  1  1.002023  0.041976  0.545584  1
  Zr  Zr15  1  1.002023  0.673979  0.532250  1
  Zr  Zr16  1  0.502023  0.271329  0.571363  1
  Zr  Zr17  1  0.502023  0.636289  0.583354  1
  Zr  Zr18  1  1.002023  0.235539  0.622930  1
  Zr  Zr19  1  0.002023  0.866962  0.609243  1
  Zr  Zr20  1  0.502023  0.466428  0.647933  1
  Zr  Zr21  1  0.502023  0.828816  0.659709  1
  Zr  Zr22  1  1.002023  0.436198  0.702660  1
  Zr  Zr23  1  0.002023  0.064515  0.686082  1
  Zr  Zr24  1  0.502023  0.657928  0.724160  1
  Ni  Ni25  1  0.751384  0.256540  0.332104  1
  Ni  Ni26  1  0.258724  0.656111  0.296348  1
  Ni  Ni27  1  0.502023  0.095832  0.302002  1
  Ni  Ni28  1  1.002023  0.694495  0.339249  1
  Ni  Ni29  1  0.754617  0.890032  0.320427  1
  Ni  Ni30  1  0.257743  0.302842  0.284014  1
  Ni  Ni31  1  0.002023  0.839745  0.278767  1
  Ni  Ni32  1  0.502023  0.456529  0.315334  1
  Ni  Ni33  1  0.252662  0.256540  0.332104  1
  Ni  Ni34  1  0.745322  0.656111  0.296348  1
  Ni  Ni35  1  0.249428  0.890032  0.320427  1
  Ni  Ni36  1  0.746303  0.302842  0.284014  1
  Ni  Ni37  1  0.749247  0.453310  0.409775  1
  Ni  Ni38  1  0.247088  0.858968  0.372086  1
  Ni  Ni39  1  0.502023  0.291156  0.377128  1
  Ni  Ni40  1  1.002023  0.888150  0.416957  1
  Ni  Ni41  1  0.755768  0.086644  0.397341  1
  Ni  Ni42  1  0.253592  0.490337  0.358884  1
  Ni  Ni43  1  0.002023  0.054947  0.351220  1
  Ni  Ni44  1  0.502023  0.653752  0.391721  1
  Ni  Ni45  1  0.254798  0.453310  0.409775  1
  Ni  Ni46  1  0.756957  0.858968  0.372086  1
  Ni  Ni47  1  0.248277  0.086644  0.397341  1
  Ni  Ni48  1  0.750454  0.490337  0.358884  1
  Ni  Ni49  1  0.749016  0.647054  0.487110  1
  Ni  Ni50  1  0.248792  0.051975  0.448934  1
  Ni  Ni51  1  0.502023  0.483055  0.454876  1
  Ni  Ni52  1  0.002023  0.080549  0.493999  1
  Ni  Ni53  1  0.755180  0.278831  0.474518  1
  Ni  Ni54  1  0.255141  0.682986  0.436301  1
  Ni  Ni55  1  1.002023  0.249570  0.429382  1
  Ni  Ni56  1  0.502023  0.847180  0.468486  1
  Ni  Ni57  1  0.255030  0.647054  0.487110  1
  Ni  Ni58  1  0.755253  0.051975  0.448934  1
  Ni  Ni59  1  0.248866  0.278831  0.474518  1
  Ni  Ni60  1  0.748905  0.682986  0.436301  1
  Ni  Ni61  1  0.748905  0.840020  0.564223  1
  Ni  Ni62  1  0.248866  0.244176  0.526007  1
  Ni  Ni63  1  0.502023  0.675826  0.532039  1
  Ni  Ni64  1  1.002023  0.273437  0.571142  1
  Ni  Ni65  1  0.755253  0.471032  0.551591  1
  Ni  Ni66  1  0.255030  0.875952  0.513415  1
  Ni  Ni67  1  1.002023  0.442457  0.506525  1
  Ni  Ni68  1  0.502023  0.039952  0.545648  1
  Ni  Ni69  1  0.255141  0.840020  0.564223  1
  Ni  Ni70  1  0.755180  0.244176  0.526007  1
  Ni  Ni71  1  0.248792  0.471032  0.551591  1
  Ni  Ni72  1  0.749016  0.875952  0.513415  1
  Ni  Ni73  1  0.750454  0.032669  0.641640  1
  Ni  Ni74  1  0.248277  0.436362  0.603184  1
  Ni  Ni75  1  0.502023  0.869254  0.608803  1
  Ni  Ni76  1  1.002023  0.468059  0.649304  1
  Ni  Ni77  1  0.756957  0.664039  0.628438  1
  Ni  Ni78  1  0.254798  0.069697  0.590750  1
  Ni  Ni79  1  0.002023  0.634857  0.583567  1
  Ni  Ni80  1  0.502023  0.231851  0.623396  1
  Ni  Ni81  1  0.253592  0.032669  0.641640  1
  Ni  Ni82  1  0.755768  0.436362  0.603184  1
  Ni  Ni83  1  0.247088  0.664039  0.628438  1
  Ni  Ni84  1  0.749247  0.069697  0.590750  1
  Ni  Ni85  1  0.746303  0.220164  0.716511  1
  Ni  Ni86  1  0.249428  0.632974  0.680097  1
  Ni  Ni87  1  0.502023  0.066477  0.685190  1
  Ni  Ni88  1  1.002023  0.683262  0.721758  1
  Ni  Ni89  1  0.745322  0.866896  0.704177  1
  Ni  Ni90  1  0.252662  0.266466  0.668420  1
  Ni  Ni91  1  0.002023  0.828512  0.661276  1
  Ni  Ni92  1  0.502023  0.427174  0.698522  1
  Ni  Ni93  1  0.257743  0.220164  0.716511  1
  Ni  Ni94  1  0.754617  0.632974  0.680097  1
  Ni  Ni95  1  0.258724  0.866896  0.704177  1
  Ni  Ni96  1  0.751384  0.266466  0.668420  1
