# generated using pymatgen
data_ZrNi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.64802554
_cell_length_b   9.64802554
_cell_length_c   51.14221740
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi5
_chemical_formula_sum   'Zr24 Ni120'
_cell_volume   4122.75070669
_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  0.917949  0.959188  0.300789  1
  Zr  Zr2  1  0.917949  0.459188  0.300789  1
  Zr  Zr3  1  0.417949  0.459188  0.300789  1
  Zr  Zr4  1  0.417949  0.959188  0.300789  1
  Zr  Zr5  1  0.251282  0.625855  0.375474  1
  Zr  Zr6  1  0.251282  0.125855  0.375474  1
  Zr  Zr7  1  0.751282  0.125855  0.375474  1
  Zr  Zr8  1  0.751282  0.625855  0.375474  1
  Zr  Zr9  1  0.584615  0.292521  0.452983  1
  Zr  Zr10  1  0.584615  0.792521  0.452983  1
  Zr  Zr11  1  0.084615  0.792521  0.452983  1
  Zr  Zr12  1  0.084615  0.292521  0.452983  1
  Zr  Zr13  1  0.917949  0.959188  0.530161  1
  Zr  Zr14  1  0.917949  0.459188  0.530161  1
  Zr  Zr15  1  0.417949  0.459188  0.530161  1
  Zr  Zr16  1  0.417949  0.959188  0.530161  1
  Zr  Zr17  1  0.251282  0.625855  0.607562  1
  Zr  Zr18  1  0.251282  0.125855  0.607562  1
  Zr  Zr19  1  0.751282  0.125855  0.607562  1
  Zr  Zr20  1  0.751282  0.625855  0.607562  1
  Zr  Zr21  1  0.584615  0.292521  0.684549  1
  Zr  Zr22  1  0.584615  0.792521  0.684549  1
  Zr  Zr23  1  0.084615  0.792521  0.684549  1
  Zr  Zr24  1  0.084615  0.292521  0.684549  1
  Ni  Ni25  1  0.584615  0.792521  0.287496  1
  Ni  Ni26  1  0.668763  0.208374  0.327831  1
  Ni  Ni27  1  0.668763  0.960816  0.327831  1
  Ni  Ni28  1  0.251282  0.625855  0.287090  1
  Ni  Ni29  1  0.416321  0.708374  0.327831  1
  Ni  Ni30  1  0.584615  0.292521  0.287496  1
  Ni  Ni31  1  0.668763  0.708374  0.327831  1
  Ni  Ni32  1  0.668763  0.460816  0.327831  1
  Ni  Ni33  1  0.251282  0.125855  0.287090  1
  Ni  Ni34  1  0.416321  0.208374  0.327831  1
  Ni  Ni35  1  0.084615  0.292521  0.287496  1
  Ni  Ni36  1  0.168763  0.708374  0.327831  1
  Ni  Ni37  1  0.168763  0.460816  0.327831  1
  Ni  Ni38  1  0.751282  0.125855  0.287090  1
  Ni  Ni39  1  0.916321  0.208374  0.327831  1
  Ni  Ni40  1  0.084615  0.792521  0.287496  1
  Ni  Ni41  1  0.168763  0.208374  0.327831  1
  Ni  Ni42  1  0.168763  0.960816  0.327831  1
  Ni  Ni43  1  0.751282  0.625855  0.287090  1
  Ni  Ni44  1  0.916321  0.708374  0.327831  1
  Ni  Ni45  1  0.917949  0.459188  0.356735  1
  Ni  Ni46  1  1.001187  0.875950  0.404737  1
  Ni  Ni47  1  1.001187  0.625664  0.404737  1
  Ni  Ni48  1  0.584615  0.292521  0.366098  1
  Ni  Ni49  1  0.751473  0.375950  0.404737  1
  Ni  Ni50  1  0.917949  0.959188  0.356735  1
  Ni  Ni51  1  1.001187  0.375950  0.404737  1
  Ni  Ni52  1  1.001187  0.125664  0.404737  1
  Ni  Ni53  1  0.584615  0.792521  0.366098  1
  Ni  Ni54  1  0.751473  0.875950  0.404737  1
  Ni  Ni55  1  0.417949  0.959188  0.356735  1
  Ni  Ni56  1  0.501187  0.375950  0.404737  1
  Ni  Ni57  1  0.501187  0.125664  0.404737  1
  Ni  Ni58  1  0.084615  0.792521  0.366098  1
  Ni  Ni59  1  0.251473  0.875950  0.404737  1
  Ni  Ni60  1  0.417949  0.459188  0.356735  1
  Ni  Ni61  1  0.501187  0.875950  0.404737  1
  Ni  Ni62  1  0.501187  0.625664  0.404737  1
  Ni  Ni63  1  0.084615  0.292521  0.366098  1
  Ni  Ni64  1  0.251473  0.375950  0.404737  1
  Ni  Ni65  1  0.251282  0.125855  0.433417  1
  Ni  Ni66  1  0.334542  0.542595  0.481940  1
  Ni  Ni67  1  0.334542  0.292374  0.481940  1
  Ni  Ni68  1  0.917949  0.959188  0.443276  1
  Ni  Ni69  1  0.084763  0.042595  0.481940  1
  Ni  Ni70  1  0.251282  0.625855  0.433417  1
  Ni  Ni71  1  0.334542  0.042595  0.481940  1
  Ni  Ni72  1  0.334542  0.792374  0.481940  1
  Ni  Ni73  1  0.917949  0.459188  0.443276  1
  Ni  Ni74  1  0.084763  0.542595  0.481940  1
  Ni  Ni75  1  0.751282  0.625855  0.433417  1
  Ni  Ni76  1  0.834542  0.042595  0.481940  1
  Ni  Ni77  1  0.834542  0.792374  0.481940  1
  Ni  Ni78  1  0.417949  0.459188  0.443276  1
  Ni  Ni79  1  0.584763  0.542595  0.481940  1
  Ni  Ni80  1  0.751282  0.125855  0.433417  1
  Ni  Ni81  1  0.834542  0.542595  0.481940  1
  Ni  Ni82  1  0.834542  0.292374  0.481940  1
  Ni  Ni83  1  0.417949  0.959188  0.443276  1
  Ni  Ni84  1  0.584763  0.042595  0.481940  1
  Ni  Ni85  1  0.584615  0.792521  0.510901  1
  Ni  Ni86  1  0.667900  0.209237  0.559221  1
  Ni  Ni87  1  0.667900  0.959090  0.559221  1
  Ni  Ni88  1  0.251282  0.625855  0.520545  1
  Ni  Ni89  1  0.418047  0.709237  0.559221  1
  Ni  Ni90  1  0.584615  0.292521  0.510901  1
  Ni  Ni91  1  0.667900  0.709237  0.559221  1
  Ni  Ni92  1  0.667900  0.459090  0.559221  1
  Ni  Ni93  1  0.251282  0.125855  0.520545  1
  Ni  Ni94  1  0.418047  0.209237  0.559221  1
  Ni  Ni95  1  0.084615  0.292521  0.510901  1
  Ni  Ni96  1  0.167900  0.709237  0.559221  1
  Ni  Ni97  1  0.167900  0.459090  0.559221  1
  Ni  Ni98  1  0.751282  0.125855  0.520545  1
  Ni  Ni99  1  0.918047  0.209237  0.559221  1
  Ni  Ni100  1  0.084615  0.792521  0.510901  1
  Ni  Ni101  1  0.167900  0.209237  0.559221  1
  Ni  Ni102  1  0.167900  0.959090  0.559221  1
  Ni  Ni103  1  0.751282  0.625855  0.520545  1
  Ni  Ni104  1  0.918047  0.709237  0.559221  1
  Ni  Ni105  1  0.917949  0.459188  0.588104  1
  Ni  Ni106  1  1.001217  0.875919  0.636378  1
  Ni  Ni107  1  1.001217  0.625726  0.636378  1
  Ni  Ni108  1  0.584615  0.292521  0.597765  1
  Ni  Ni109  1  0.751411  0.375919  0.636378  1
  Ni  Ni110  1  0.917949  0.959188  0.588104  1
  Ni  Ni111  1  1.001217  0.375919  0.636378  1
  Ni  Ni112  1  1.001217  0.125726  0.636378  1
  Ni  Ni113  1  0.584615  0.792521  0.597765  1
  Ni  Ni114  1  0.751411  0.875919  0.636378  1
  Ni  Ni115  1  0.417949  0.959188  0.588104  1
  Ni  Ni116  1  0.501217  0.375919  0.636378  1
  Ni  Ni117  1  0.501217  0.125726  0.636378  1
  Ni  Ni118  1  0.084615  0.792521  0.597765  1
  Ni  Ni119  1  0.251411  0.875919  0.636378  1
  Ni  Ni120  1  0.417949  0.459188  0.588104  1
  Ni  Ni121  1  0.501217  0.875919  0.636378  1
  Ni  Ni122  1  0.501217  0.625726  0.636378  1
  Ni  Ni123  1  0.084615  0.292521  0.597765  1
  Ni  Ni124  1  0.251411  0.375919  0.636378  1
  Ni  Ni125  1  0.251282  0.125855  0.666662  1
  Ni  Ni126  1  0.333532  0.543604  0.712618  1
  Ni  Ni127  1  0.333532  0.290355  0.712618  1
  Ni  Ni128  1  0.917949  0.959188  0.674868  1
  Ni  Ni129  1  0.086781  0.043604  0.712618  1
  Ni  Ni130  1  0.251282  0.625855  0.666662  1
  Ni  Ni131  1  0.333532  0.043604  0.712618  1
  Ni  Ni132  1  0.333532  0.790355  0.712618  1
  Ni  Ni133  1  0.917949  0.459188  0.674868  1
  Ni  Ni134  1  0.086781  0.543604  0.712618  1
  Ni  Ni135  1  0.751282  0.625855  0.666662  1
  Ni  Ni136  1  0.833532  0.043604  0.712618  1
  Ni  Ni137  1  0.833532  0.790355  0.712618  1
  Ni  Ni138  1  0.417949  0.459188  0.674868  1
  Ni  Ni139  1  0.586781  0.543604  0.712618  1
  Ni  Ni140  1  0.751282  0.125855  0.666662  1
  Ni  Ni141  1  0.833532  0.543604  0.712618  1
  Ni  Ni142  1  0.833532  0.290355  0.712618  1
  Ni  Ni143  1  0.417949  0.959188  0.674868  1
  Ni  Ni144  1  0.586781  0.043604  0.712618  1
