# generated using pymatgen
data_ZrNi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76948597
_cell_length_b   9.64234190
_cell_length_c   52.70668303
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi5
_chemical_formula_sum   'Zr20 Ni100'
_cell_volume   3440.36012339
_cell_formula_units_Z   20
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  0.760424  0.416624  0.335206  1
  Zr  Zr2  1  0.233174  0.166624  0.300654  1
  Zr  Zr3  1  0.233174  0.666624  0.300654  1
  Zr  Zr4  1  0.760424  0.916624  0.335206  1
  Zr  Zr5  1  0.756788  0.916624  0.426708  1
  Zr  Zr6  1  0.252765  0.666624  0.380983  1
  Zr  Zr7  1  0.252765  0.166624  0.380983  1
  Zr  Zr8  1  0.756788  0.416624  0.426708  1
  Zr  Zr9  1  0.756474  0.416624  0.518269  1
  Zr  Zr10  1  0.255710  0.166624  0.471918  1
  Zr  Zr11  1  0.255710  0.666624  0.471918  1
  Zr  Zr12  1  0.756474  0.916624  0.518269  1
  Zr  Zr13  1  0.755863  0.916624  0.609693  1
  Zr  Zr14  1  0.255137  0.666624  0.563495  1
  Zr  Zr15  1  0.255137  0.166624  0.563495  1
  Zr  Zr16  1  0.755863  0.416624  0.609693  1
  Zr  Zr17  1  0.723894  0.416624  0.694678  1
  Zr  Zr18  1  0.257585  0.166624  0.655946  1
  Zr  Zr19  1  0.257585  0.666624  0.655946  1
  Zr  Zr20  1  0.723894  0.916624  0.694678  1
  Ni  Ni21  1  0.506993  0.916624  0.297250  1
  Ni  Ni22  1  0.872939  0.041106  0.289704  1
  Ni  Ni23  1  0.625779  0.666624  0.311636  1
  Ni  Ni24  1  0.637698  0.666624  0.357887  1
  Ni  Ni25  1  0.872939  0.792142  0.289704  1
  Ni  Ni26  1  0.987187  0.166624  0.337117  1
  Ni  Ni27  1  0.384834  0.295354  0.337794  1
  Ni  Ni28  1  0.120282  0.916624  0.356071  1
  Ni  Ni29  1  0.133577  0.416624  0.311066  1
  Ni  Ni30  1  0.384834  0.037894  0.337794  1
  Ni  Ni31  1  0.987187  0.666624  0.337117  1
  Ni  Ni32  1  0.384834  0.795354  0.337794  1
  Ni  Ni33  1  0.120282  0.416624  0.356071  1
  Ni  Ni34  1  0.133577  0.916624  0.311066  1
  Ni  Ni35  1  0.384834  0.537894  0.337794  1
  Ni  Ni36  1  0.506993  0.416624  0.297250  1
  Ni  Ni37  1  0.872939  0.541106  0.289704  1
  Ni  Ni38  1  0.625779  0.166624  0.311636  1
  Ni  Ni39  1  0.637698  0.166624  0.357887  1
  Ni  Ni40  1  0.872939  0.292142  0.289704  1
  Ni  Ni41  1  0.513400  0.416624  0.380974  1
  Ni  Ni42  1  0.879900  0.541746  0.381282  1
  Ni  Ni43  1  0.631121  0.166624  0.403500  1
  Ni  Ni44  1  0.632422  0.166624  0.449456  1
  Ni  Ni45  1  0.879900  0.291502  0.381282  1
  Ni  Ni46  1  0.005097  0.666624  0.426327  1
  Ni  Ni47  1  0.380406  0.792192  0.426396  1
  Ni  Ni48  1  0.131499  0.416624  0.449052  1
  Ni  Ni49  1  0.135368  0.916624  0.403098  1
  Ni  Ni50  1  0.380406  0.541055  0.426396  1
  Ni  Ni51  1  0.005097  0.166624  0.426327  1
  Ni  Ni52  1  0.380406  0.292192  0.426396  1
  Ni  Ni53  1  0.131499  0.916624  0.449052  1
  Ni  Ni54  1  0.135368  0.416624  0.403098  1
  Ni  Ni55  1  0.380406  0.041055  0.426396  1
  Ni  Ni56  1  0.513400  0.916624  0.380974  1
  Ni  Ni57  1  0.879900  0.041746  0.381282  1
  Ni  Ni58  1  0.631121  0.666624  0.403500  1
  Ni  Ni59  1  0.632422  0.666624  0.449456  1
  Ni  Ni60  1  0.879900  0.791502  0.381282  1
  Ni  Ni61  1  0.506662  0.916624  0.472336  1
  Ni  Ni62  1  0.880076  0.042080  0.472369  1
  Ni  Ni63  1  0.631827  0.666624  0.495041  1
  Ni  Ni64  1  0.632687  0.666624  0.540983  1
  Ni  Ni65  1  0.880076  0.791168  0.472369  1
  Ni  Ni66  1  0.006090  0.166624  0.517841  1
  Ni  Ni67  1  0.380009  0.292081  0.517919  1
  Ni  Ni68  1  0.132000  0.916624  0.540882  1
  Ni  Ni69  1  0.132108  0.416624  0.495187  1
  Ni  Ni70  1  0.380009  0.041166  0.517919  1
  Ni  Ni71  1  0.006090  0.666624  0.517841  1
  Ni  Ni72  1  0.380009  0.792081  0.517919  1
  Ni  Ni73  1  0.132000  0.416624  0.540882  1
  Ni  Ni74  1  0.132108  0.916624  0.495187  1
  Ni  Ni75  1  0.380009  0.541166  0.517919  1
  Ni  Ni76  1  0.506662  0.416624  0.472336  1
  Ni  Ni77  1  0.880076  0.542080  0.472369  1
  Ni  Ni78  1  0.631827  0.166624  0.495041  1
  Ni  Ni79  1  0.632687  0.166624  0.540983  1
  Ni  Ni80  1  0.880076  0.291168  0.472369  1
  Ni  Ni81  1  0.505529  0.416624  0.564337  1
  Ni  Ni82  1  0.880177  0.541982  0.564122  1
  Ni  Ni83  1  0.630630  0.166624  0.586457  1
  Ni  Ni84  1  0.628779  0.166624  0.632848  1
  Ni  Ni85  1  0.880177  0.291265  0.564122  1
  Ni  Ni86  1  0.012778  0.666624  0.610108  1
  Ni  Ni87  1  0.379910  0.791880  0.609389  1
  Ni  Ni88  1  0.135163  0.416624  0.632647  1
  Ni  Ni89  1  0.133257  0.916624  0.586824  1
  Ni  Ni90  1  0.379910  0.541367  0.609389  1
  Ni  Ni91  1  0.012778  0.166624  0.610108  1
  Ni  Ni92  1  0.379910  0.291880  0.609389  1
  Ni  Ni93  1  0.135163  0.916624  0.632647  1
  Ni  Ni94  1  0.133257  0.416624  0.586824  1
  Ni  Ni95  1  0.379910  0.041367  0.609389  1
  Ni  Ni96  1  0.505529  0.916624  0.564337  1
  Ni  Ni97  1  0.880177  0.041982  0.564122  1
  Ni  Ni98  1  0.630630  0.666624  0.586457  1
  Ni  Ni99  1  0.628779  0.666624  0.632848  1
  Ni  Ni100  1  0.880177  0.791265  0.564122  1
  Ni  Ni101  1  0.495832  0.916624  0.652973  1
  Ni  Ni102  1  0.880821  0.043731  0.654733  1
  Ni  Ni103  1  0.617183  0.666624  0.678108  1
  Ni  Ni104  1  0.691572  0.666624  0.722371  1
  Ni  Ni105  1  0.880821  0.789517  0.654733  1
  Ni  Ni106  1  0.004030  0.166624  0.696245  1
  Ni  Ni107  1  0.364852  0.289492  0.704657  1
  Ni  Ni108  1  0.046102  0.916624  0.721749  1
  Ni  Ni109  1  0.134826  0.416624  0.678438  1
  Ni  Ni110  1  0.364852  0.043756  0.704657  1
  Ni  Ni111  1  0.004030  0.666624  0.696245  1
  Ni  Ni112  1  0.364852  0.789492  0.704657  1
  Ni  Ni113  1  0.046102  0.416624  0.721749  1
  Ni  Ni114  1  0.134826  0.916624  0.678438  1
  Ni  Ni115  1  0.364852  0.543756  0.704657  1
  Ni  Ni116  1  0.495832  0.416624  0.652973  1
  Ni  Ni117  1  0.880821  0.543731  0.654733  1
  Ni  Ni118  1  0.617183  0.166624  0.678108  1
  Ni  Ni119  1  0.691572  0.166624  0.722371  1
  Ni  Ni120  1  0.880821  0.289517  0.654733  1
