# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75844948
_cell_length_b   12.96562450
_cell_length_c   49.06054322
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.42216504
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni168 H56'
_cell_volume   4270.75363612
_cell_formula_units_Z   56
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
  Ni  Ni1  1  0.086245  0.474684  0.258243  1
  Ni  Ni2  1  0.839101  0.419207  0.287872  1
  Ni  Ni3  1  0.086245  0.974684  0.258243  1
  Ni  Ni4  1  0.839101  0.919207  0.287872  1
  Ni  Ni5  1  0.294369  0.295175  0.259737  1
  Ni  Ni6  1  1.010705  0.234374  0.283970  1
  Ni  Ni7  1  0.294369  0.795175  0.259737  1
  Ni  Ni8  1  1.010705  0.734374  0.283970  1
  Ni  Ni9  1  0.314094  0.418377  0.293407  1
  Ni  Ni10  1  0.542546  0.461214  0.259619  1
  Ni  Ni11  1  0.314094  0.918377  0.293407  1
  Ni  Ni12  1  0.542546  0.961214  0.259619  1
  Ni  Ni13  1  0.545920  0.045080  0.305542  1
  Ni  Ni14  1  0.762784  0.100844  0.270912  1
  Ni  Ni15  1  0.545920  0.545080  0.305542  1
  Ni  Ni16  1  0.762784  0.600844  0.270912  1
  Ni  Ni17  1  0.377625  0.227961  0.308069  1
  Ni  Ni18  1  0.631514  0.281637  0.276556  1
  Ni  Ni19  1  0.377625  0.727961  0.308069  1
  Ni  Ni20  1  0.631514  0.781637  0.276556  1
  Ni  Ni21  1  0.306005  0.107178  0.271371  1
  Ni  Ni22  1  0.046685  0.054039  0.304110  1
  Ni  Ni23  1  0.306005  0.607178  0.271371  1
  Ni  Ni24  1  0.046685  0.554039  0.304110  1
  Ni  Ni25  1  0.597516  0.363759  0.322426  1
  Ni  Ni26  1  0.349406  0.307603  0.355433  1
  Ni  Ni27  1  0.597516  0.863759  0.322426  1
  Ni  Ni28  1  0.349406  0.807603  0.355433  1
  Ni  Ni29  1  0.767332  0.179492  0.319064  1
  Ni  Ni30  1  0.524754  0.122616  0.352658  1
  Ni  Ni31  1  0.767332  0.679492  0.319064  1
  Ni  Ni32  1  0.524754  0.622616  0.352658  1
  Ni  Ni33  1  0.832797  0.298479  0.356820  1
  Ni  Ni34  1  0.070095  0.352994  0.322894  1
  Ni  Ni35  1  0.832797  0.798479  0.356820  1
  Ni  Ni36  1  0.070095  0.852994  0.322894  1
  Ni  Ni37  1  0.056820  0.930388  0.371595  1
  Ni  Ni38  1  0.296520  0.990360  0.338579  1
  Ni  Ni39  1  0.056820  0.430388  0.371595  1
  Ni  Ni40  1  0.296520  0.490360  0.338579  1
  Ni  Ni41  1  0.887078  0.115236  0.375482  1
  Ni  Ni42  1  0.132488  0.172434  0.341303  1
  Ni  Ni43  1  0.887078  0.615236  0.375482  1
  Ni  Ni44  1  0.132488  0.672434  0.341303  1
  Ni  Ni45  1  0.815960  0.994037  0.337872  1
  Ni  Ni46  1  0.570952  0.938242  0.371474  1
  Ni  Ni47  1  0.815960  0.494037  0.337872  1
  Ni  Ni48  1  0.570952  0.438242  0.371474  1
  Ni  Ni49  1  0.106576  0.249755  0.389345  1
  Ni  Ni50  1  0.860635  0.192898  0.422985  1
  Ni  Ni51  1  0.106576  0.749755  0.389345  1
  Ni  Ni52  1  0.860635  0.692898  0.422985  1
  Ni  Ni53  1  0.276979  0.065468  0.385761  1
  Ni  Ni54  1  0.032114  1.007869  0.419071  1
  Ni  Ni55  1  0.276979  0.565468  0.385761  1
  Ni  Ni56  1  0.032114  0.507869  0.419071  1
  Ni  Ni57  1  0.345088  0.185040  0.423305  1
  Ni  Ni58  1  0.587847  0.242688  0.389834  1
  Ni  Ni59  1  0.345088  0.685040  0.423305  1
  Ni  Ni60  1  0.587847  0.742688  0.389834  1
  Ni  Ni61  1  0.568523  0.816206  0.438623  1
  Ni  Ni62  1  0.812826  0.873556  0.405133  1
  Ni  Ni63  1  0.568523  0.316206  0.438623  1
  Ni  Ni64  1  0.812826  0.373556  0.405133  1
  Ni  Ni65  1  0.396724  1.000976  0.442664  1
  Ni  Ni66  1  0.641291  0.058399  0.409097  1
  Ni  Ni67  1  0.396724  0.500976  0.442664  1
  Ni  Ni68  1  0.641291  0.558399  0.409097  1
  Ni  Ni69  1  0.327239  0.881204  0.405013  1
  Ni  Ni70  1  0.083382  0.823762  0.438538  1
  Ni  Ni71  1  0.327239  0.381204  0.405013  1
  Ni  Ni72  1  0.083382  0.323762  0.438538  1
  Ni  Ni73  1  0.616311  0.135455  0.456631  1
  Ni  Ni74  1  0.371749  0.078015  0.490151  1
  Ni  Ni75  1  0.616311  0.635455  0.456631  1
  Ni  Ni76  1  0.371749  0.578015  0.490151  1
  Ni  Ni77  1  0.787953  0.950595  0.452594  1
  Ni  Ni78  1  0.543644  0.893182  0.486108  1
  Ni  Ni79  1  0.787953  0.450595  0.452594  1
  Ni  Ni80  1  0.543644  0.393182  0.486108  1
  Ni  Ni81  1  0.856800  0.070213  0.490244  1
  Ni  Ni82  1  0.100693  0.127578  0.456700  1
  Ni  Ni83  1  0.856800  0.570213  0.490244  1
  Ni  Ni84  1  0.100693  0.627578  0.456700  1
  Ni  Ni85  1  0.079717  0.701238  0.505671  1
  Ni  Ni86  1  0.324279  0.758677  0.472150  1
  Ni  Ni87  1  0.079717  0.201238  0.505671  1
  Ni  Ni88  1  0.324279  0.258677  0.472150  1
  Ni  Ni89  1  0.908075  0.886098  0.509707  1
  Ni  Ni90  1  0.152384  0.943510  0.476194  1
  Ni  Ni91  1  0.908075  0.386098  0.509707  1
  Ni  Ni92  1  0.152384  0.443510  0.476194  1
  Ni  Ni93  1  0.839228  0.766480  0.472058  1
  Ni  Ni94  1  0.595334  0.709115  0.505602  1
  Ni  Ni95  1  0.839228  0.266480  0.472058  1
  Ni  Ni96  1  0.595334  0.209115  0.505602  1
  Ni  Ni97  1  0.127504  0.020487  0.523679  1
  Ni  Ni98  1  0.883202  0.963136  0.557169  1
  Ni  Ni99  1  0.127504  0.520487  0.523679  1
  Ni  Ni100  1  0.883202  0.463136  0.557169  1
  Ni  Ni101  1  0.299303  0.835717  0.519637  1
  Ni  Ni102  1  0.054737  0.778293  0.553205  1
  Ni  Ni103  1  0.299303  0.335717  0.519637  1
  Ni  Ni104  1  0.054737  0.278293  0.553205  1
  Ni  Ni105  1  0.368789  0.955489  0.557288  1
  Ni  Ni106  1  0.612646  0.012930  0.523764  1
  Ni  Ni107  1  0.368789  0.455489  0.557288  1
  Ni  Ni108  1  0.612646  0.512930  0.523764  1
  Ni  Ni109  1  0.589452  0.586937  0.572957  1
  Ni  Ni110  1  0.835393  0.643794  0.539316  1
  Ni  Ni111  1  0.589452  0.086937  0.572957  1
  Ni  Ni112  1  0.835393  0.143794  0.539316  1
  Ni  Ni113  1  0.419049  0.771225  0.576540  1
  Ni  Ni114  1  0.663913  0.828824  0.543231  1
  Ni  Ni115  1  0.419049  0.271225  0.576540  1
  Ni  Ni116  1  0.663913  0.328824  0.543231  1
  Ni  Ni117  1  0.350940  0.651653  0.538997  1
  Ni  Ni118  1  0.108181  0.594005  0.572468  1
  Ni  Ni119  1  0.350940  0.151653  0.538997  1
  Ni  Ni120  1  0.108181  0.094005  0.572468  1
  Ni  Ni121  1  0.639208  0.906305  0.590707  1
  Ni  Ni122  1  0.399508  0.846333  0.623723  1
  Ni  Ni123  1  0.639208  0.406305  0.590707  1
  Ni  Ni124  1  0.399508  0.346333  0.623723  1
  Ni  Ni125  1  0.808950  0.721457  0.586820  1
  Ni  Ni126  1  0.563540  0.664259  0.620998  1
  Ni  Ni127  1  0.808950  0.221457  0.586820  1
  Ni  Ni128  1  0.563540  0.164259  0.620998  1
  Ni  Ni129  1  0.880068  0.842655  0.624429  1
  Ni  Ni130  1  0.125076  0.898451  0.590827  1
  Ni  Ni131  1  0.880068  0.342655  0.624429  1
  Ni  Ni132  1  0.125076  0.398451  0.590827  1
  Ni  Ni133  1  0.098512  0.472933  0.639875  1
  Ni  Ni134  1  0.346622  0.529090  0.606869  1
  Ni  Ni135  1  0.098512  0.972933  0.639875  1
  Ni  Ni136  1  0.346622  0.029090  0.606869  1
  Ni  Ni137  1  0.928696  0.657201  0.643238  1
  Ni  Ni138  1  0.171274  0.714077  0.609644  1
  Ni  Ni139  1  0.928696  0.157201  0.643238  1
  Ni  Ni140  1  0.171274  0.214077  0.609644  1
  Ni  Ni141  1  0.863231  0.538214  0.605481  1
  Ni  Ni142  1  0.625933  0.483698  0.639408  1
  Ni  Ni143  1  0.863231  0.038214  0.605481  1
  Ni  Ni144  1  0.625933  0.983698  0.639408  1
  Ni  Ni145  1  0.150108  0.791613  0.656760  1
  Ni  Ni146  1  0.933244  0.735849  0.691390  1
  Ni  Ni147  1  0.150108  0.291613  0.656760  1
  Ni  Ni148  1  0.933244  0.235849  0.691390  1
  Ni  Ni149  1  0.318403  0.608732  0.654233  1
  Ni  Ni150  1  0.064514  0.555055  0.685746  1
  Ni  Ni151  1  0.318403  0.108732  0.654233  1
  Ni  Ni152  1  0.064514  0.055055  0.685746  1
  Ni  Ni153  1  0.390023  0.729515  0.690931  1
  Ni  Ni154  1  0.649343  0.782653  0.658192  1
  Ni  Ni155  1  0.390023  0.229515  0.690931  1
  Ni  Ni156  1  0.649343  0.282653  0.658192  1
  Ni  Ni157  1  0.609783  0.362009  0.704058  1
  Ni  Ni158  1  0.856927  0.417485  0.674430  1
  Ni  Ni159  1  0.609783  0.862009  0.704058  1
  Ni  Ni160  1  0.856927  0.917485  0.674430  1
  Ni  Ni161  1  0.401658  0.541517  0.702565  1
  Ni  Ni162  1  0.685323  0.602319  0.678332  1
  Ni  Ni163  1  0.401658  0.041517  0.702565  1
  Ni  Ni164  1  0.685323  0.102319  0.678332  1
  Ni  Ni165  1  0.381934  0.418316  0.668894  1
  Ni  Ni166  1  0.153482  0.375478  0.702683  1
  Ni  Ni167  1  0.381934  0.918316  0.668894  1
  Ni  Ni168  1  0.153482  0.875478  0.702683  1
  H  H169  1  0.071547  0.354642  0.265645  1
  H  H170  1  0.831429  0.300913  0.305989  1
  H  H171  1  0.071547  0.854642  0.265645  1
  H  H172  1  0.831429  0.800913  0.305989  1
  H  H173  1  0.471597  0.195771  0.266052  1
  H  H174  1  0.832071  0.209813  0.258225  1
  H  H175  1  0.471597  0.695771  0.266052  1
  H  H176  1  0.832071  0.709813  0.258225  1
  H  H177  1  0.592841  0.247858  0.344425  1
  H  H178  1  0.345798  0.190517  0.377683  1
  H  H179  1  0.592841  0.747858  0.344425  1
  H  H180  1  0.345798  0.690517  0.377683  1
  H  H181  1  0.055906  0.048913  0.348991  1
  H  H182  1  0.285004  0.092882  0.309311  1
  H  H183  1  0.055906  0.548913  0.348991  1
  H  H184  1  0.285004  0.592882  0.309311  1
  H  H185  1  0.101530  0.133007  0.411457  1
  H  H186  1  0.856881  0.075573  0.444903  1
  H  H187  1  0.101530  0.633007  0.411457  1
  H  H188  1  0.856881  0.575573  0.444903  1
  H  H189  1  0.571192  0.933463  0.416667  1
  H  H190  1  0.815648  0.990535  0.383136  1
  H  H191  1  0.571192  0.433463  0.416667  1
  H  H192  1  0.815648  0.490535  0.383136  1
  H  H193  1  0.613013  0.018146  0.478532  1
  H  H194  1  0.368907  0.960671  0.512075  1
  H  H195  1  0.613013  0.518146  0.478532  1
  H  H196  1  0.368907  0.460671  0.512075  1
  H  H197  1  0.083015  0.818546  0.483769  1
  H  H198  1  0.327121  0.876022  0.450227  1
  H  H199  1  0.083015  0.318546  0.483769  1
  H  H200  1  0.327121  0.376022  0.450227  1
  H  H201  1  0.124836  0.903230  0.545634  1
  H  H202  1  0.880380  0.846157  0.579166  1
  H  H203  1  0.124836  0.403230  0.545634  1
  H  H204  1  0.880380  0.346157  0.579166  1
  H  H205  1  0.594498  0.703685  0.550845  1
  H  H206  1  0.839147  0.761120  0.517399  1
  H  H207  1  0.594498  0.203685  0.550845  1
  H  H208  1  0.839147  0.261120  0.517399  1
  H  H209  1  0.640122  0.787779  0.613311  1
  H  H210  1  0.411024  0.743810  0.652991  1
  H  H211  1  0.640122  0.287779  0.613311  1
  H  H212  1  0.411024  0.243810  0.652991  1
  H  H213  1  0.103187  0.588835  0.617877  1
  H  H214  1  0.350229  0.646176  0.584619  1
  H  H215  1  0.103187  0.088835  0.617877  1
  H  H216  1  0.350229  0.146176  0.584619  1
  H  H217  1  0.224431  0.640922  0.696250  1
  H  H218  1  0.863957  0.626879  0.704077  1
  H  H219  1  0.224431  0.140922  0.696250  1
  H  H220  1  0.863957  0.126879  0.704077  1
  H  H221  1  0.624481  0.482051  0.696657  1
  H  H222  1  0.864599  0.535780  0.656313  1
  H  H223  1  0.624481  0.982051  0.696657  1
  H  H224  1  0.864599  0.035780  0.656313  1
