# generated using pymatgen
data_ZrNi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79806479
_cell_length_b   9.66425075
_cell_length_c   52.81565858
_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   3469.8938443
_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  0.732597  0.333347  0.300467  1
  Zr  Zr2  1  0.256131  0.583347  0.334917  1
  Zr  Zr3  1  0.256131  0.083347  0.334917  1
  Zr  Zr4  1  0.732597  0.833347  0.300468  1
  Zr  Zr5  1  0.754003  0.833347  0.381189  1
  Zr  Zr6  1  0.255539  0.083346  0.426679  1
  Zr  Zr7  1  0.255539  0.583348  0.426679  1
  Zr  Zr8  1  0.754002  0.333347  0.381188  1
  Zr  Zr9  1  0.755693  0.333347  0.472254  1
  Zr  Zr10  1  0.255847  0.583360  0.518381  1
  Zr  Zr11  1  0.255847  0.083334  0.518381  1
  Zr  Zr12  1  0.755692  0.833347  0.472253  1
  Zr  Zr13  1  0.755292  0.833347  0.563914  1
  Zr  Zr14  1  0.255078  0.083310  0.609880  1
  Zr  Zr15  1  0.255078  0.583384  0.609880  1
  Zr  Zr16  1  0.755374  0.333347  0.563918  1
  Zr  Zr17  1  0.755849  0.333347  0.656150  1
  Zr  Zr18  1  0.230113  0.583620  0.695730  1
  Zr  Zr19  1  0.230113  0.083074  0.695730  1
  Zr  Zr20  1  0.754982  0.833347  0.656270  1
  Ni  Ni21  1  0.994983  0.583347  0.297270  1
  Ni  Ni22  1  0.373324  0.708425  0.290419  1
  Ni  Ni23  1  0.622099  0.083347  0.356990  1
  Ni  Ni24  1  0.137109  0.333347  0.357699  1
  Ni  Ni25  1  0.883168  0.206203  0.337842  1
  Ni  Ni26  1  0.487727  0.833347  0.336675  1
  Ni  Ni27  1  0.883169  0.960491  0.337842  1
  Ni  Ni28  1  0.119708  0.833347  0.311449  1
  Ni  Ni29  1  0.629773  0.083347  0.311801  1
  Ni  Ni30  1  0.373324  0.958269  0.290419  1
  Ni  Ni31  1  0.487727  0.333347  0.336675  1
  Ni  Ni32  1  0.883168  0.460492  0.337842  1
  Ni  Ni33  1  0.119707  0.333347  0.311448  1
  Ni  Ni34  1  0.629773  0.583347  0.311801  1
  Ni  Ni35  1  0.373324  0.458269  0.290419  1
  Ni  Ni36  1  0.994983  0.083347  0.297270  1
  Ni  Ni37  1  0.373324  0.208425  0.290419  1
  Ni  Ni38  1  0.622099  0.583348  0.356990  1
  Ni  Ni39  1  0.137109  0.833347  0.357699  1
  Ni  Ni40  1  0.883169  0.706203  0.337842  1
  Ni  Ni41  1  0.009783  0.083347  0.380698  1
  Ni  Ni42  1  0.380497  0.208328  0.381051  1
  Ni  Ni43  1  0.630750  0.583345  0.449474  1
  Ni  Ni44  1  0.131208  0.833347  0.449511  1
  Ni  Ni45  1  0.880534  0.708303  0.426556  1
  Ni  Ni46  1  0.504765  0.333347  0.426537  1
  Ni  Ni47  1  0.880535  0.458391  0.426556  1
  Ni  Ni48  1  0.131154  0.333347  0.403668  1
  Ni  Ni49  1  0.631574  0.583347  0.403606  1
  Ni  Ni50  1  0.380497  0.458366  0.381051  1
  Ni  Ni51  1  0.504766  0.833347  0.426537  1
  Ni  Ni52  1  0.880534  0.958391  0.426556  1
  Ni  Ni53  1  0.131157  0.833347  0.403669  1
  Ni  Ni54  1  0.631574  0.083348  0.403606  1
  Ni  Ni55  1  0.380498  0.958366  0.381052  1
  Ni  Ni56  1  0.009783  0.583347  0.380698  1
  Ni  Ni57  1  0.380498  0.708328  0.381052  1
  Ni  Ni58  1  0.630750  0.083349  0.449474  1
  Ni  Ni59  1  0.131216  0.333347  0.449509  1
  Ni  Ni60  1  0.880535  0.208304  0.426556  1
  Ni  Ni61  1  0.006071  0.583347  0.472502  1
  Ni  Ni62  1  0.380207  0.708326  0.472500  1
  Ni  Ni63  1  0.630881  0.083331  0.541168  1
  Ni  Ni64  1  0.131490  0.333347  0.541088  1
  Ni  Ni65  1  0.880238  0.208354  0.518180  1
  Ni  Ni66  1  0.505801  0.833347  0.518146  1
  Ni  Ni67  1  0.880231  0.958337  0.518176  1
  Ni  Ni68  1  0.130852  0.833347  0.495317  1
  Ni  Ni69  1  0.630962  0.083353  0.495330  1
  Ni  Ni70  1  0.380207  0.958368  0.472500  1
  Ni  Ni71  1  0.505808  0.333347  0.518148  1
  Ni  Ni72  1  0.880238  0.458340  0.518180  1
  Ni  Ni73  1  0.130827  0.333347  0.495313  1
  Ni  Ni74  1  0.630962  0.583341  0.495330  1
  Ni  Ni75  1  0.380202  0.458368  0.472501  1
  Ni  Ni76  1  0.006071  0.083348  0.472502  1
  Ni  Ni77  1  0.380202  0.208326  0.472501  1
  Ni  Ni78  1  0.630881  0.583364  0.541168  1
  Ni  Ni79  1  0.131392  0.833347  0.541103  1
  Ni  Ni80  1  0.880231  0.708358  0.518176  1
  Ni  Ni81  1  0.005281  0.083319  0.564290  1
  Ni  Ni82  1  0.380418  0.208315  0.564233  1
  Ni  Ni83  1  0.633356  0.583464  0.632852  1
  Ni  Ni84  1  0.128541  0.833347  0.632674  1
  Ni  Ni85  1  0.880134  0.708388  0.609934  1
  Ni  Ni86  1  0.509429  0.333347  0.610223  1
  Ni  Ni87  1  0.880351  0.458392  0.609917  1
  Ni  Ni88  1  0.129358  0.333347  0.586753  1
  Ni  Ni89  1  0.632055  0.583335  0.586997  1
  Ni  Ni90  1  0.380418  0.458380  0.564233  1
  Ni  Ni91  1  0.509287  0.833347  0.610253  1
  Ni  Ni92  1  0.880134  0.958306  0.609934  1
  Ni  Ni93  1  0.129329  0.833347  0.586783  1
  Ni  Ni94  1  0.632055  0.083359  0.586997  1
  Ni  Ni95  1  0.380355  0.958379  0.564240  1
  Ni  Ni96  1  0.005281  0.583375  0.564290  1
  Ni  Ni97  1  0.380355  0.708316  0.564240  1
  Ni  Ni98  1  0.633356  0.083230  0.632852  1
  Ni  Ni99  1  0.129336  0.333347  0.632605  1
  Ni  Ni100  1  0.880351  0.208303  0.609917  1
  Ni  Ni101  1  0.993675  0.583449  0.654236  1
  Ni  Ni102  1  0.379759  0.709491  0.654810  1
  Ni  Ni103  1  0.551235  0.089405  0.722035  1
  Ni  Ni104  1  0.189962  0.333347  0.722139  1
  Ni  Ni105  1  0.868084  0.209699  0.703745  1
  Ni  Ni106  1  0.495917  0.833347  0.696514  1
  Ni  Ni107  1  0.865191  0.957334  0.703942  1
  Ni  Ni108  1  0.117415  0.833347  0.678135  1
  Ni  Ni109  1  0.629143  0.083152  0.678545  1
  Ni  Ni110  1  0.379759  0.957203  0.654810  1
  Ni  Ni111  1  0.498713  0.333347  0.696391  1
  Ni  Ni112  1  0.868084  0.456995  0.703745  1
  Ni  Ni113  1  0.119186  0.333347  0.678049  1
  Ni  Ni114  1  0.629143  0.583542  0.678545  1
  Ni  Ni115  1  0.380435  0.457298  0.654822  1
  Ni  Ni116  1  0.993675  0.083245  0.654236  1
  Ni  Ni117  1  0.380435  0.209397  0.654822  1
  Ni  Ni118  1  0.551235  0.577289  0.722035  1
  Ni  Ni119  1  0.183760  0.833347  0.722316  1
  Ni  Ni120  1  0.865191  0.709361  0.703942  1
