# generated using pymatgen
data_ZrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.92228023
_cell_length_b   9.92228023
_cell_length_c   48.60011322
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi2
_chemical_formula_sum   'Zr40 Ni80'
_cell_volume   4143.72466021
_cell_formula_units_Z   40
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  0.416804  0.541942  0.304530  1
  Zr  Zr2  1  0.583471  0.708609  0.324543  1
  Zr  Zr3  1  0.916804  0.041942  0.304530  1
  Zr  Zr4  1  0.083471  0.208609  0.324543  1
  Zr  Zr5  1  0.416804  0.041942  0.304530  1
  Zr  Zr6  1  0.583471  0.208609  0.324543  1
  Zr  Zr7  1  0.916804  0.541942  0.304530  1
  Zr  Zr8  1  0.083471  0.708609  0.324543  1
  Zr  Zr9  1  0.083471  0.208609  0.385646  1
  Zr  Zr10  1  0.250138  0.375275  0.406477  1
  Zr  Zr11  1  0.583471  0.708609  0.385646  1
  Zr  Zr12  1  0.750138  0.875275  0.406477  1
  Zr  Zr13  1  0.083471  0.708609  0.385646  1
  Zr  Zr14  1  0.250138  0.875275  0.406477  1
  Zr  Zr15  1  0.583471  0.208609  0.385646  1
  Zr  Zr16  1  0.750138  0.375275  0.406477  1
  Zr  Zr17  1  0.750138  0.875275  0.469008  1
  Zr  Zr18  1  0.916804  0.041942  0.490018  1
  Zr  Zr19  1  0.250138  0.375275  0.469008  1
  Zr  Zr20  1  0.416804  0.541942  0.490018  1
  Zr  Zr21  1  0.750138  0.375275  0.469008  1
  Zr  Zr22  1  0.916804  0.541942  0.490018  1
  Zr  Zr23  1  0.250138  0.875275  0.469008  1
  Zr  Zr24  1  0.416804  0.041942  0.490018  1
  Zr  Zr25  1  0.416804  0.541942  0.552649  1
  Zr  Zr26  1  0.583471  0.708609  0.573067  1
  Zr  Zr27  1  0.916804  0.041942  0.552649  1
  Zr  Zr28  1  0.083471  0.208609  0.573067  1
  Zr  Zr29  1  0.416804  0.041942  0.552649  1
  Zr  Zr30  1  0.583471  0.208609  0.573067  1
  Zr  Zr31  1  0.916804  0.541942  0.552649  1
  Zr  Zr32  1  0.083471  0.708609  0.573067  1
  Zr  Zr33  1  0.083471  0.208609  0.635230  1
  Zr  Zr34  1  0.250138  0.375275  0.658696  1
  Zr  Zr35  1  0.583471  0.708609  0.635230  1
  Zr  Zr36  1  0.750138  0.875275  0.658696  1
  Zr  Zr37  1  0.083471  0.708609  0.635230  1
  Zr  Zr38  1  0.250138  0.875275  0.658696  1
  Zr  Zr39  1  0.583471  0.208609  0.635230  1
  Zr  Zr40  1  0.750138  0.375275  0.658696  1
  Ni  Ni41  1  0.250138  0.875275  0.311281  1
  Ni  Ni42  1  0.083694  0.958497  0.353908  1
  Ni  Ni43  1  0.333360  0.958497  0.353908  1
  Ni  Ni44  1  0.333360  0.708831  0.353908  1
  Ni  Ni45  1  0.750138  0.375275  0.311281  1
  Ni  Ni46  1  0.583694  0.458497  0.353908  1
  Ni  Ni47  1  0.833360  0.458497  0.353908  1
  Ni  Ni48  1  0.833360  0.208831  0.353908  1
  Ni  Ni49  1  0.250138  0.375275  0.311281  1
  Ni  Ni50  1  0.083694  0.458497  0.353908  1
  Ni  Ni51  1  0.333360  0.458497  0.353908  1
  Ni  Ni52  1  0.333360  0.208831  0.353908  1
  Ni  Ni53  1  0.750138  0.875275  0.311281  1
  Ni  Ni54  1  0.583694  0.958497  0.353908  1
  Ni  Ni55  1  0.833360  0.958497  0.353908  1
  Ni  Ni56  1  0.833360  0.708831  0.353908  1
  Ni  Ni57  1  0.916804  0.541942  0.395989  1
  Ni  Ni58  1  0.750175  0.625256  0.437849  1
  Ni  Ni59  1  1.000119  0.625256  0.437849  1
  Ni  Ni60  1  1.000119  0.375313  0.437849  1
  Ni  Ni61  1  0.416804  0.041942  0.395989  1
  Ni  Ni62  1  0.250175  0.125256  0.437849  1
  Ni  Ni63  1  0.500119  0.125256  0.437849  1
  Ni  Ni64  1  0.500119  0.875313  0.437849  1
  Ni  Ni65  1  0.916804  0.041942  0.395989  1
  Ni  Ni66  1  0.750175  0.125256  0.437849  1
  Ni  Ni67  1  1.000119  0.125256  0.437849  1
  Ni  Ni68  1  1.000119  0.875313  0.437849  1
  Ni  Ni69  1  0.416804  0.541942  0.395989  1
  Ni  Ni70  1  0.250175  0.625256  0.437849  1
  Ni  Ni71  1  0.500119  0.625256  0.437849  1
  Ni  Ni72  1  0.500119  0.375313  0.437849  1
  Ni  Ni73  1  0.583471  0.208609  0.479514  1
  Ni  Ni74  1  0.416705  0.291991  0.521200  1
  Ni  Ni75  1  0.666854  0.291991  0.521200  1
  Ni  Ni76  1  0.666854  0.041843  0.521200  1
  Ni  Ni77  1  0.083471  0.708609  0.479514  1
  Ni  Ni78  1  0.916705  0.791991  0.521200  1
  Ni  Ni79  1  0.166854  0.791991  0.521200  1
  Ni  Ni80  1  0.166854  0.541843  0.521200  1
  Ni  Ni81  1  0.583471  0.708609  0.479514  1
  Ni  Ni82  1  0.416705  0.791991  0.521200  1
  Ni  Ni83  1  0.666854  0.791991  0.521200  1
  Ni  Ni84  1  0.666854  0.541843  0.521200  1
  Ni  Ni85  1  0.083471  0.208609  0.479514  1
  Ni  Ni86  1  0.916705  0.291991  0.521200  1
  Ni  Ni87  1  0.166854  0.291991  0.521200  1
  Ni  Ni88  1  0.166854  0.041843  0.521200  1
  Ni  Ni89  1  0.250138  0.875275  0.563027  1
  Ni  Ni90  1  0.084124  0.958282  0.604824  1
  Ni  Ni91  1  0.333144  0.958282  0.604824  1
  Ni  Ni92  1  0.333144  0.709262  0.604824  1
  Ni  Ni93  1  0.750138  0.375275  0.563027  1
  Ni  Ni94  1  0.584124  0.458282  0.604824  1
  Ni  Ni95  1  0.833144  0.458282  0.604824  1
  Ni  Ni96  1  0.833144  0.209262  0.604824  1
  Ni  Ni97  1  0.250138  0.375275  0.563027  1
  Ni  Ni98  1  0.084124  0.458282  0.604824  1
  Ni  Ni99  1  0.333144  0.458282  0.604824  1
  Ni  Ni100  1  0.333144  0.209262  0.604824  1
  Ni  Ni101  1  0.750138  0.875275  0.563027  1
  Ni  Ni102  1  0.584124  0.958282  0.604824  1
  Ni  Ni103  1  0.833144  0.958282  0.604824  1
  Ni  Ni104  1  0.833144  0.709262  0.604824  1
  Ni  Ni105  1  0.916804  0.541942  0.646385  1
  Ni  Ni106  1  0.748273  0.626208  0.687204  1
  Ni  Ni107  1  0.001070  0.626208  0.687204  1
  Ni  Ni108  1  0.001070  0.373410  0.687204  1
  Ni  Ni109  1  0.416804  0.041942  0.646385  1
  Ni  Ni110  1  0.248273  0.126208  0.687204  1
  Ni  Ni111  1  0.501070  0.126208  0.687204  1
  Ni  Ni112  1  0.501070  0.873410  0.687204  1
  Ni  Ni113  1  0.916804  0.041942  0.646385  1
  Ni  Ni114  1  0.748273  0.126208  0.687204  1
  Ni  Ni115  1  0.001070  0.126208  0.687204  1
  Ni  Ni116  1  0.001070  0.873410  0.687204  1
  Ni  Ni117  1  0.416804  0.541942  0.646385  1
  Ni  Ni118  1  0.248273  0.626208  0.687204  1
  Ni  Ni119  1  0.501070  0.626208  0.687204  1
  Ni  Ni120  1  0.501070  0.373410  0.687204  1
