# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.58775107
_cell_length_b   7.77930557
_cell_length_c   61.30784494
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni144 H48'
_cell_volume   3885.59545649
_cell_formula_units_Z   48
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  0.489599  1.025595  0.196937  1
  Ni  Ni2  1  0.707434  0.548986  0.231175  1
  Ni  Ni3  1  0.471359  0.874868  0.161696  1
  Ni  Ni4  1  0.637083  0.387137  0.196158  1
  Ni  Ni5  1  0.256031  1.013851  0.172507  1
  Ni  Ni6  1  0.434717  0.477700  0.215185  1
  Ni  Ni7  1  0.671190  0.812060  0.205381  1
  Ni  Ni8  1  0.373930  0.370747  0.175439  1
  Ni  Ni9  1  0.768424  1.159584  0.209568  1
  Ni  Ni10  1  0.626747  0.652459  0.170798  1
  Ni  Ni11  1  0.373164  0.676717  0.190501  1
  Ni  Ni12  1  0.078294  1.211805  0.164368  1
  Ni  Ni13  1  0.171190  0.812060  0.205381  1
  Ni  Ni14  1  0.873930  0.370747  0.175439  1
  Ni  Ni15  1  0.268424  1.159584  0.209568  1
  Ni  Ni16  1  0.126747  0.652459  0.170798  1
  Ni  Ni17  1  0.873164  0.676717  0.190501  1
  Ni  Ni18  1  0.578294  1.211805  0.164368  1
  Ni  Ni19  1  0.989599  1.025595  0.196937  1
  Ni  Ni20  1  0.207434  0.548986  0.231175  1
  Ni  Ni21  1  0.971359  0.874868  0.161696  1
  Ni  Ni22  1  0.137083  0.387137  0.196158  1
  Ni  Ni23  1  0.756031  1.013851  0.172507  1
  Ni  Ni24  1  0.934717  0.477700  0.215185  1
  Ni  Ni25  1  0.996673  0.999678  0.262878  1
  Ni  Ni26  1  0.063127  0.482752  0.310949  1
  Ni  Ni27  1  0.937009  0.824844  0.228149  1
  Ni  Ni28  1  0.026344  0.329329  0.273683  1
  Ni  Ni29  1  0.719333  0.931697  0.243630  1
  Ni  Ni30  1  0.801041  0.427622  0.290938  1
  Ni  Ni31  1  0.028830  0.753441  0.288188  1
  Ni  Ni32  1  0.770957  0.276192  0.251428  1
  Ni  Ni33  1  0.263687  1.046887  0.282657  1
  Ni  Ni34  1  0.977570  0.585463  0.253388  1
  Ni  Ni35  1  0.756711  0.685403  0.268967  1
  Ni  Ni36  1  0.514886  1.212987  0.232050  1
  Ni  Ni37  1  0.528830  0.753441  0.288188  1
  Ni  Ni38  1  0.270957  0.276192  0.251428  1
  Ni  Ni39  1  0.763687  1.046887  0.282657  1
  Ni  Ni40  1  0.477570  0.585463  0.253388  1
  Ni  Ni41  1  0.256711  0.685403  0.268967  1
  Ni  Ni42  1  1.014886  1.212987  0.232050  1
  Ni  Ni43  1  0.496673  0.999678  0.262878  1
  Ni  Ni44  1  0.563127  0.482752  0.310949  1
  Ni  Ni45  1  0.437009  0.824844  0.228149  1
  Ni  Ni46  1  0.526344  0.329329  0.273683  1
  Ni  Ni47  1  0.219333  0.931697  0.243630  1
  Ni  Ni48  1  0.301041  0.427622  0.290938  1
  Ni  Ni49  1  0.334982  0.941380  0.345143  1
  Ni  Ni50  1  0.614049  0.371625  0.377175  1
  Ni  Ni51  1  0.288546  0.787607  0.308620  1
  Ni  Ni52  1  0.574609  1.237880  0.339505  1
  Ni  Ni53  1  0.061123  0.861889  0.327160  1
  Ni  Ni54  1  0.339754  0.292941  0.359124  1
  Ni  Ni55  1  0.361242  0.676251  0.369982  1
  Ni  Ni56  1  0.310097  1.193447  0.319404  1
  Ni  Ni57  1  0.595417  0.981110  0.365844  1
  Ni  Ni58  1  0.324029  0.532940  0.331819  1
  Ni  Ni59  1  0.097883  0.614314  0.350156  1
  Ni  Ni60  1  0.030154  1.100233  0.302246  1
  Ni  Ni61  1  0.861242  0.676251  0.369982  1
  Ni  Ni62  1  0.810097  1.193447  0.319404  1
  Ni  Ni63  1  0.095417  0.981110  0.365844  1
  Ni  Ni64  1  0.824029  0.532940  0.331819  1
  Ni  Ni65  1  0.597883  0.614314  0.350156  1
  Ni  Ni66  1  0.530154  1.100233  0.302246  1
  Ni  Ni67  1  0.834982  0.941380  0.345143  1
  Ni  Ni68  1  0.114049  0.371625  0.377175  1
  Ni  Ni69  1  0.788546  0.787607  0.308620  1
  Ni  Ni70  1  0.074609  1.237880  0.339505  1
  Ni  Ni71  1  0.561123  0.861889  0.327160  1
  Ni  Ni72  1  0.839754  0.292941  0.359124  1
  Ni  Ni73  1  0.662279  0.862305  0.428225  1
  Ni  Ni74  1  0.940492  0.313468  0.461185  1
  Ni  Ni75  1  0.623651  0.725398  0.390123  1
  Ni  Ni76  1  0.898984  1.169323  0.423683  1
  Ni  Ni77  1  0.399567  0.808482  0.408425  1
  Ni  Ni78  1  0.670401  1.246130  0.442014  1
  Ni  Ni79  1  0.919613  0.559256  0.434333  1
  Ni  Ni80  1  0.637553  1.123600  0.403153  1
  Ni  Ni81  1  0.925586  0.914228  0.448132  1
  Ni  Ni82  1  0.877660  0.421482  0.397211  1
  Ni  Ni83  1  0.647494  0.486275  0.415986  1
  Ni  Ni84  1  0.365387  1.050330  0.384475  1
  Ni  Ni85  1  0.419613  0.559256  0.434333  1
  Ni  Ni86  1  0.137553  1.123600  0.403153  1
  Ni  Ni87  1  0.425586  0.914228  0.448132  1
  Ni  Ni88  1  0.377660  0.421482  0.397211  1
  Ni  Ni89  1  0.147494  0.486275  0.415986  1
  Ni  Ni90  1  0.865387  1.050330  0.384475  1
  Ni  Ni91  1  0.162279  0.862305  0.428225  1
  Ni  Ni92  1  0.440492  0.313468  0.461185  1
  Ni  Ni93  1  0.123651  0.725398  0.390123  1
  Ni  Ni94  1  0.398984  1.169323  0.423683  1
  Ni  Ni95  1  0.899567  0.808482  0.408425  1
  Ni  Ni96  1  0.170401  1.246130  0.442014  1
  Ni  Ni97  1  0.226427  0.748308  0.491135  1
  Ni  Ni98  1  0.275725  1.247237  0.543523  1
  Ni  Ni99  1  0.182346  0.604853  0.454453  1
  Ni  Ni100  1  0.230774  1.101485  0.505954  1
  Ni  Ni101  1  0.954221  0.674563  0.473074  1
  Ni  Ni102  1  1.013588  1.199355  0.523122  1
  Ni  Ni103  1  0.242791  0.510234  0.519401  1
  Ni  Ni104  1  0.966539  1.051043  0.485964  1
  Ni  Ni105  1  0.489644  0.791423  0.511562  1
  Ni  Ni106  1  0.200930  0.358906  0.481896  1
  Ni  Ni107  1  0.972031  0.440746  0.500179  1
  Ni  Ni108  1  0.704349  1.003708  0.466032  1
  Ni  Ni109  1  0.742791  0.510234  0.519401  1
  Ni  Ni110  1  0.466539  1.051043  0.485964  1
  Ni  Ni111  1  0.989644  0.791423  0.511562  1
  Ni  Ni112  1  0.700930  0.358906  0.481896  1
  Ni  Ni113  1  0.472031  0.440746  0.500179  1
  Ni  Ni114  1  0.204349  1.003708  0.466032  1
  Ni  Ni115  1  0.726427  0.748308  0.491135  1
  Ni  Ni116  1  0.775725  1.247237  0.543523  1
  Ni  Ni117  1  0.682346  0.604853  0.454453  1
  Ni  Ni118  1  0.730774  1.101485  0.505954  1
  Ni  Ni119  1  0.454221  0.674563  0.473074  1
  Ni  Ni120  1  0.513588  1.199355  0.523122  1
  Ni  Ni121  1  0.543127  0.722224  0.576897  1
  Ni  Ni122  1  0.876421  1.158831  0.599355  1
  Ni  Ni123  1  0.500418  0.552947  0.541048  1
  Ni  Ni124  1  0.804006  0.982683  0.566461  1
  Ni  Ni125  1  0.267772  0.632172  0.558482  1
  Ni  Ni126  1  0.587517  1.043367  0.587252  1
  Ni  Ni127  1  0.596658  0.470822  0.595389  1
  Ni  Ni128  1  0.538906  0.942580  0.547836  1
  Ni  Ni129  1  0.815631  0.781116  0.594867  1
  Ni  Ni130  1  0.536477  0.278249  0.563399  1
  Ni  Ni131  1  0.323987  0.398861  0.579991  1
  Ni  Ni132  1  0.261653  0.856443  0.529825  1
  Ni  Ni133  1  0.096658  0.470822  0.595389  1
  Ni  Ni134  1  0.038906  0.942580  0.547836  1
  Ni  Ni135  1  0.315631  0.781116  0.594867  1
  Ni  Ni136  1  0.036477  0.278249  0.563399  1
  Ni  Ni137  1  0.823987  0.398861  0.579991  1
  Ni  Ni138  1  0.761653  0.856443  0.529825  1
  Ni  Ni139  1  0.043127  0.722224  0.576897  1
  Ni  Ni140  1  0.376421  1.158831  0.599355  1
  Ni  Ni141  1  1.000418  0.552947  0.541048  1
  Ni  Ni142  1  0.304006  0.982683  0.566461  1
  Ni  Ni143  1  0.767772  0.632172  0.558482  1
  Ni  Ni144  1  0.087517  1.043367  0.587252  1
  H  H145  1  0.133987  0.828668  0.154817  1
  H  H146  1  0.430966  1.199355  0.183214  1
  H  H147  1  0.351582  0.998116  0.220356  1
  H  H148  1  0.215732  0.465215  0.169759  1
  H  H149  1  0.851582  0.998116  0.220356  1
  H  H150  1  0.715732  0.465215  0.169759  1
  H  H151  1  0.633987  0.828668  0.154817  1
  H  H152  1  0.930966  1.199355  0.183214  1
  H  H153  1  0.583966  0.702220  0.230106  1
  H  H154  1  0.660313  1.202802  0.278118  1
  H  H155  1  0.889206  0.894416  0.285553  1
  H  H156  1  0.631066  0.438235  0.252938  1
  H  H157  1  0.389206  0.894416  0.285553  1
  H  H158  1  0.131066  0.438235  0.252938  1
  H  H159  1  0.083966  0.702220  0.230106  1
  H  H160  1  0.160313  1.202802  0.278118  1
  H  H161  1  0.928211  0.638002  0.309749  1
  H  H162  1  0.198984  1.083536  0.342162  1
  H  H163  1  0.231215  0.829309  0.367656  1
  H  H164  1  0.958130  0.393041  0.335471  1
  H  H165  1  0.731215  0.829309  0.367656  1
  H  H166  1  0.458130  0.393041  0.335471  1
  H  H167  1  0.428211  0.638002  0.309749  1
  H  H168  1  0.698984  1.083536  0.342162  1
  H  H169  1  0.482757  0.521072  0.373624  1
  H  H170  1  0.536686  1.020841  0.426208  1
  H  H171  1  0.786121  0.707280  0.430983  1
  H  H172  1  0.504238  1.268944  0.400220  1
  H  H173  1  0.286121  0.707280  0.430983  1
  H  H174  1  1.004238  1.268944  0.400220  1
  H  H175  1  0.982757  0.521072  0.373624  1
  H  H176  1  0.036686  1.020841  0.426208  1
  H  H177  1  0.809905  0.458048  0.458055  1
  H  H178  1  0.092183  0.896429  0.488257  1
  H  H179  1  0.111117  0.646134  0.515722  1
  H  H180  1  0.841706  1.212914  0.484394  1
  H  H181  1  0.611117  0.646134  0.515722  1
  H  H182  1  0.341706  1.212914  0.484394  1
  H  H183  1  0.309905  0.458048  0.458055  1
  H  H184  1  0.592183  0.896429  0.488257  1
  H  H185  1  0.142511  0.404268  0.542148  1
  H  H186  1  0.505270  0.845601  0.601601  1
  H  H187  1  0.422444  0.366018  0.606756  1
  H  H188  1  0.397711  1.084095  0.543408  1
  H  H189  1  0.922444  0.366018  0.606756  1
  H  H190  1  0.897711  1.084095  0.543408  1
  H  H191  1  0.642511  0.404268  0.542148  1
  H  H192  1  1.005270  0.845601  0.601601  1
