# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.99142122
_cell_length_b   12.35204966
_cell_length_c   46.74506729
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.28477851
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni216 H72'
_cell_volume   5676.32684808
_cell_formula_units_Z   72
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  0.074166  0.616214  0.307600  1
  Ni  Ni2  1  0.574166  0.116214  0.307600  1
  Ni  Ni3  1  0.600864  0.637120  0.286210  1
  Ni  Ni4  1  0.100864  0.137120  0.286210  1
  Ni  Ni5  1  0.162643  0.432240  0.303838  1
  Ni  Ni6  1  0.662643  0.932240  0.303838  1
  Ni  Ni7  1  0.691087  0.458485  0.283512  1
  Ni  Ni8  1  0.191087  0.958485  0.283512  1
  Ni  Ni9  1  0.305050  0.600685  0.319237  1
  Ni  Ni10  1  0.805050  0.100685  0.319237  1
  Ni  Ni11  1  0.835468  0.628747  0.297282  1
  Ni  Ni12  1  0.335468  0.128747  0.297282  1
  Ni  Ni13  1  0.515618  0.290655  0.288620  1
  Ni  Ni14  1  0.015618  0.790655  0.288620  1
  Ni  Ni15  1  0.982773  0.267761  0.309865  1
  Ni  Ni16  1  0.482773  0.767761  0.309865  1
  Ni  Ni17  1  0.441537  0.466430  0.295518  1
  Ni  Ni18  1  0.941537  0.966430  0.295518  1
  Ni  Ni19  1  0.902773  0.451131  0.316626  1
  Ni  Ni20  1  0.402773  0.951131  0.316626  1
  Ni  Ni21  1  0.278901  0.301497  0.279091  1
  Ni  Ni22  1  0.778901  0.801497  0.279091  1
  Ni  Ni23  1  0.748911  0.283474  0.302287  1
  Ni  Ni24  1  0.248911  0.783474  0.302287  1
  Ni  Ni25  1  1.002962  0.566398  0.358018  1
  Ni  Ni26  1  0.502962  0.066398  0.358018  1
  Ni  Ni27  1  0.535848  0.589124  0.334836  1
  Ni  Ni28  1  0.035848  0.089124  0.334836  1
  Ni  Ni29  1  0.082654  0.381898  0.352194  1
  Ni  Ni30  1  0.582654  0.881898  0.352194  1
  Ni  Ni31  1  0.620715  0.405966  0.330226  1
  Ni  Ni32  1  0.120715  0.905966  0.330226  1
  Ni  Ni33  1  0.230973  0.548408  0.369918  1
  Ni  Ni34  1  0.730973  0.048408  0.369918  1
  Ni  Ni35  1  0.765611  0.573340  0.345884  1
  Ni  Ni36  1  0.265611  0.073340  0.345884  1
  Ni  Ni37  1  0.445626  0.240560  0.337285  1
  Ni  Ni38  1  0.945626  0.740560  0.337285  1
  Ni  Ni39  1  0.911280  0.215143  0.360825  1
  Ni  Ni40  1  0.411280  0.715143  0.360825  1
  Ni  Ni41  1  0.360352  0.421345  0.343158  1
  Ni  Ni42  1  0.860352  0.921345  0.343158  1
  Ni  Ni43  1  0.828689  0.398771  0.367062  1
  Ni  Ni44  1  0.328689  0.898771  0.367062  1
  Ni  Ni45  1  0.212916  0.253552  0.326959  1
  Ni  Ni46  1  0.712916  0.753552  0.326959  1
  Ni  Ni47  1  0.681749  0.229839  0.350170  1
  Ni  Ni48  1  0.181749  0.729839  0.350170  1
  Ni  Ni49  1  0.933977  0.516045  0.408690  1
  Ni  Ni50  1  0.433977  0.016045  0.408690  1
  Ni  Ni51  1  0.466275  0.540353  0.384391  1
  Ni  Ni52  1  0.966275  0.040353  0.384391  1
  Ni  Ni53  1  0.014429  0.332272  0.402305  1
  Ni  Ni54  1  0.514429  0.832272  0.402305  1
  Ni  Ni55  1  0.548142  0.355351  0.378739  1
  Ni  Ni56  1  0.048142  0.855351  0.378739  1
  Ni  Ni57  1  0.161911  0.498606  0.421317  1
  Ni  Ni58  1  0.661911  0.998606  0.421317  1
  Ni  Ni59  1  0.695392  0.522773  0.396638  1
  Ni  Ni60  1  0.195392  0.022773  0.396638  1
  Ni  Ni61  1  0.375538  0.188120  0.387461  1
  Ni  Ni62  1  0.875538  0.688120  0.387461  1
  Ni  Ni63  1  0.842289  0.164460  0.411848  1
  Ni  Ni64  1  0.342289  0.664460  0.411848  1
  Ni  Ni65  1  0.292232  0.373648  0.393847  1
  Ni  Ni66  1  0.792232  0.873648  0.393847  1
  Ni  Ni67  1  0.759434  0.349116  0.418338  1
  Ni  Ni68  1  0.259434  0.849116  0.418338  1
  Ni  Ni69  1  0.146625  0.206121  0.375938  1
  Ni  Ni70  1  0.646625  0.706121  0.375938  1
  Ni  Ni71  1  0.614309  0.181263  0.399983  1
  Ni  Ni72  1  0.114309  0.681263  0.399983  1
  Ni  Ni73  1  0.867053  0.467603  0.459382  1
  Ni  Ni74  1  0.367053  0.967603  0.459382  1
  Ni  Ni75  1  0.399810  0.491891  0.434731  1
  Ni  Ni76  1  0.899810  0.991891  0.434731  1
  Ni  Ni77  1  0.948099  0.283395  0.452719  1
  Ni  Ni78  1  0.448099  0.783395  0.452719  1
  Ni  Ni79  1  0.481277  0.306739  0.428453  1
  Ni  Ni80  1  0.981277  0.806739  0.428453  1
  Ni  Ni81  1  0.094704  0.449477  0.472155  1
  Ni  Ni82  1  0.594704  0.949477  0.472155  1
  Ni  Ni83  1  0.627602  0.473717  0.447303  1
  Ni  Ni84  1  0.127602  0.973717  0.447303  1
  Ni  Ni85  1  0.308108  0.139344  0.437987  1
  Ni  Ni86  1  0.808108  0.639344  0.437987  1
  Ni  Ni87  1  0.775150  0.115623  0.462706  1
  Ni  Ni88  1  0.275150  0.615623  0.462706  1
  Ni  Ni89  1  0.226080  0.324310  0.444602  1
  Ni  Ni90  1  0.726080  0.824310  0.444602  1
  Ni  Ni91  1  0.692829  0.300288  0.469242  1
  Ni  Ni92  1  0.192829  0.800288  0.469242  1
  Ni  Ni93  1  0.080179  0.157693  0.425657  1
  Ni  Ni94  1  0.580179  0.657693  0.425657  1
  Ni  Ni95  1  0.547469  0.133216  0.450220  1
  Ni  Ni96  1  0.047469  0.633216  0.450220  1
  Ni  Ni97  1  0.800812  0.419498  0.510018  1
  Ni  Ni98  1  0.300812  0.919498  0.510018  1
  Ni  Ni99  1  0.333619  0.443511  0.485224  1
  Ni  Ni100  1  0.833619  0.943511  0.485224  1
  Ni  Ni101  1  0.882299  0.234953  0.503304  1
  Ni  Ni102  1  0.382299  0.734953  0.503304  1
  Ni  Ni103  1  0.415514  0.258636  0.478725  1
  Ni  Ni104  1  0.915514  0.758636  0.478725  1
  Ni  Ni105  1  0.028430  0.401079  0.522701  1
  Ni  Ni106  1  0.528430  0.901079  0.522701  1
  Ni  Ni107  1  0.561188  0.425449  0.497892  1
  Ni  Ni108  1  0.061188  0.925449  0.497892  1
  Ni  Ni109  1  0.241688  0.091140  0.488561  1
  Ni  Ni110  1  0.741688  0.591140  0.488561  1
  Ni  Ni111  1  0.708881  0.067127  0.513355  1
  Ni  Ni112  1  0.208881  0.567127  0.513355  1
  Ni  Ni113  1  0.160201  0.275685  0.495275  1
  Ni  Ni114  1  0.660201  0.775685  0.495275  1
  Ni  Ni115  1  0.626986  0.252002  0.519854  1
  Ni  Ni116  1  0.126986  0.752002  0.519854  1
  Ni  Ni117  1  0.014069  0.109559  0.475878  1
  Ni  Ni118  1  0.514069  0.609559  0.475878  1
  Ni  Ni119  1  0.481312  0.085189  0.500688  1
  Ni  Ni120  1  0.981312  0.585189  0.500688  1
  Ni  Ni121  1  0.734392  0.371294  0.560592  1
  Ni  Ni122  1  0.234392  0.871294  0.560592  1
  Ni  Ni123  1  0.267350  0.395015  0.535873  1
  Ni  Ni124  1  0.767350  0.895015  0.535873  1
  Ni  Ni125  1  0.816420  0.186328  0.553978  1
  Ni  Ni126  1  0.316420  0.686328  0.553978  1
  Ni  Ni127  1  0.349670  0.210350  0.529337  1
  Ni  Ni128  1  0.849670  0.710350  0.529337  1
  Ni  Ni129  1  0.962320  0.352946  0.572923  1
  Ni  Ni130  1  0.462320  0.852946  0.572923  1
  Ni  Ni131  1  0.495031  0.377422  0.548359  1
  Ni  Ni132  1  0.995031  0.877422  0.548359  1
  Ni  Ni133  1  0.175447  0.043035  0.539198  1
  Ni  Ni134  1  0.675447  0.543035  0.539198  1
  Ni  Ni135  1  0.642690  0.018748  0.563849  1
  Ni  Ni136  1  0.142690  0.518748  0.563849  1
  Ni  Ni137  1  0.094401  0.227243  0.545860  1
  Ni  Ni138  1  0.594401  0.727243  0.545860  1
  Ni  Ni139  1  0.561223  0.203899  0.570126  1
  Ni  Ni140  1  0.061223  0.703899  0.570126  1
  Ni  Ni141  1  0.947796  0.061161  0.526424  1
  Ni  Ni142  1  0.447796  0.561161  0.526424  1
  Ni  Ni143  1  0.414898  0.036921  0.551276  1
  Ni  Ni144  1  0.914898  0.536921  0.551276  1
  Ni  Ni145  1  0.666962  0.322518  0.611118  1
  Ni  Ni146  1  0.166962  0.822518  0.611118  1
  Ni  Ni147  1  0.200210  0.346178  0.586732  1
  Ni  Ni148  1  0.700210  0.846178  0.586732  1
  Ni  Ni149  1  0.750268  0.136991  0.604732  1
  Ni  Ni150  1  0.250268  0.636991  0.604732  1
  Ni  Ni151  1  0.283066  0.161522  0.580241  1
  Ni  Ni152  1  0.783066  0.661522  0.580241  1
  Ni  Ni153  1  0.895875  0.304517  0.622641  1
  Ni  Ni154  1  0.395875  0.804517  0.622641  1
  Ni  Ni155  1  0.428190  0.329375  0.598596  1
  Ni  Ni156  1  0.928190  0.829375  0.598596  1
  Ni  Ni157  1  0.108523  0.994593  0.589889  1
  Ni  Ni158  1  0.608523  0.494593  0.589889  1
  Ni  Ni159  1  0.576225  0.970285  0.614188  1
  Ni  Ni160  1  0.076225  0.470285  0.614188  1
  Ni  Ni161  1  0.028071  0.178366  0.596274  1
  Ni  Ni162  1  0.528071  0.678366  0.596274  1
  Ni  Ni163  1  0.494358  0.155287  0.619841  1
  Ni  Ni164  1  0.994358  0.655287  0.619841  1
  Ni  Ni165  1  0.880589  0.012032  0.577262  1
  Ni  Ni166  1  0.380589  0.512032  0.577262  1
  Ni  Ni167  1  0.347107  0.987865  0.601941  1
  Ni  Ni168  1  0.847107  0.487865  0.601941  1
  Ni  Ni169  1  0.596874  0.270078  0.661294  1
  Ni  Ni170  1  0.096874  0.770078  0.661294  1
  Ni  Ni171  1  0.131220  0.295495  0.637754  1
  Ni  Ni172  1  0.631220  0.795495  0.637754  1
  Ni  Ni173  1  0.682148  0.089293  0.655421  1
  Ni  Ni174  1  0.182148  0.589293  0.655421  1
  Ni  Ni175  1  0.213811  0.111868  0.631518  1
  Ni  Ni176  1  0.713811  0.611868  0.631518  1
  Ni  Ni177  1  0.829584  0.257086  0.671620  1
  Ni  Ni178  1  0.329584  0.757086  0.671620  1
  Ni  Ni179  1  0.360751  0.280799  0.648409  1
  Ni  Ni180  1  0.860751  0.780799  0.648409  1
  Ni  Ni181  1  0.039538  0.944240  0.640561  1
  Ni  Ni182  1  0.539538  0.444240  0.640561  1
  Ni  Ni183  1  0.506651  0.921514  0.663743  1
  Ni  Ni184  1  0.006651  0.421514  0.663743  1
  Ni  Ni185  1  0.959846  0.128740  0.646385  1
  Ni  Ni186  1  0.459846  0.628740  0.646385  1
  Ni  Ni187  1  0.421785  0.104672  0.668353  1
  Ni  Ni188  1  0.921785  0.604672  0.668353  1
  Ni  Ni189  1  0.811527  0.962230  0.628661  1
  Ni  Ni190  1  0.311527  0.462230  0.628661  1
  Ni  Ni191  1  0.276889  0.937298  0.652696  1
  Ni  Ni192  1  0.776889  0.437298  0.652696  1
  Ni  Ni193  1  0.526882  0.219984  0.709960  1
  Ni  Ni194  1  0.026882  0.719984  0.709960  1
  Ni  Ni195  1  0.059727  0.242878  0.688715  1
  Ni  Ni196  1  0.559727  0.742878  0.688715  1
  Ni  Ni197  1  0.600963  0.044208  0.703061  1
  Ni  Ni198  1  0.100963  0.544208  0.703061  1
  Ni  Ni199  1  0.139727  0.059508  0.681953  1
  Ni  Ni200  1  0.639727  0.559508  0.681953  1
  Ni  Ni201  1  0.763598  0.209142  0.719488  1
  Ni  Ni202  1  0.263598  0.709142  0.719488  1
  Ni  Ni203  1  0.293589  0.227164  0.696292  1
  Ni  Ni204  1  0.793589  0.727164  0.696292  1
  Ni  Ni205  1  0.968334  0.894424  0.690979  1
  Ni  Ni206  1  0.468334  0.394424  0.690979  1
  Ni  Ni207  1  0.441636  0.873518  0.712369  1
  Ni  Ni208  1  0.941636  0.373518  0.712369  1
  Ni  Ni209  1  0.879857  0.078398  0.694741  1
  Ni  Ni210  1  0.379857  0.578398  0.694741  1
  Ni  Ni211  1  0.351413  0.052153  0.715068  1
  Ni  Ni212  1  0.851413  0.552153  0.715068  1
  Ni  Ni213  1  0.737450  0.909953  0.679342  1
  Ni  Ni214  1  0.237450  0.409953  0.679342  1
  Ni  Ni215  1  0.207032  0.881891  0.701297  1
  Ni  Ni216  1  0.707032  0.381891  0.701297  1
  H  H217  1  0.194612  0.559950  0.285621  1
  H  H218  1  0.694612  0.059950  0.285621  1
  H  H219  1  0.647355  0.540368  0.307109  1
  H  H220  1  0.147355  0.040368  0.307109  1
  H  H221  1  0.375731  0.320619  0.307268  1
  H  H222  1  0.875731  0.820619  0.307268  1
  H  H223  1  0.005891  0.388660  0.289242  1
  H  H224  1  0.505891  0.888660  0.289242  1
  H  H225  1  0.115171  0.513553  0.331334  1
  H  H226  1  0.615171  0.013553  0.331334  1
  H  H227  1  0.589005  0.490474  0.360421  1
  H  H228  1  0.089005  0.990474  0.360421  1
  H  H229  1  0.330658  0.292453  0.362651  1
  H  H230  1  0.830658  0.792453  0.362651  1
  H  H231  1  0.867265  0.317838  0.334291  1
  H  H232  1  0.367265  0.817838  0.334291  1
  H  H233  1  0.051371  0.464729  0.383566  1
  H  H234  1  0.551371  0.964729  0.383566  1
  H  H235  1  0.515397  0.438794  0.409994  1
  H  H236  1  0.015397  0.938794  0.409994  1
  H  H237  1  0.262349  0.243115  0.412999  1
  H  H238  1  0.762349  0.743115  0.412999  1
  H  H239  1  0.798367  0.268639  0.386649  1
  H  H240  1  0.298367  0.768639  0.386649  1
  H  H241  1  0.982521  0.414509  0.434215  1
  H  H242  1  0.482521  0.914509  0.434215  1
  H  H243  1  0.447661  0.389503  0.460149  1
  H  H244  1  0.947661  0.889503  0.460149  1
  H  H245  1  0.194518  0.193964  0.463354  1
  H  H246  1  0.694518  0.693964  0.463354  1
  H  H247  1  0.729184  0.218769  0.437406  1
  H  H248  1  0.229184  0.718769  0.437406  1
  H  H249  1  0.914984  0.365419  0.484735  1
  H  H250  1  0.414984  0.865419  0.484735  1
  H  H251  1  0.380826  0.340803  0.510585  1
  H  H252  1  0.880826  0.840803  0.510585  1
  H  H253  1  0.127516  0.145220  0.513844  1
  H  H254  1  0.627516  0.645220  0.513844  1
  H  H255  1  0.661674  0.169835  0.487994  1
  H  H256  1  0.161674  0.669835  0.487994  1
  H  H257  1  0.847982  0.316675  0.535225  1
  H  H258  1  0.347982  0.816675  0.535225  1
  H  H259  1  0.313316  0.291869  0.561174  1
  H  H260  1  0.813316  0.791869  0.561174  1
  H  H261  1  0.059978  0.096129  0.564365  1
  H  H262  1  0.559978  0.596129  0.564365  1
  H  H263  1  0.594839  0.121135  0.538430  1
  H  H264  1  0.094839  0.621135  0.538430  1
  H  H265  1  0.780151  0.267523  0.585580  1
  H  H266  1  0.280151  0.767523  0.585580  1
  H  H267  1  0.244133  0.242000  0.611930  1
  H  H268  1  0.744133  0.742000  0.611930  1
  H  H269  1  0.991129  0.045909  0.615014  1
  H  H270  1  0.491129  0.545909  0.615014  1
  H  H271  1  0.527103  0.071844  0.588585  1
  H  H272  1  0.027103  0.571844  0.588585  1
  H  H273  1  0.711842  0.218185  0.635929  1
  H  H274  1  0.211842  0.718185  0.635929  1
  H  H275  1  0.175235  0.192800  0.664288  1
  H  H276  1  0.675235  0.692800  0.664288  1
  H  H277  1  0.927329  0.997085  0.667245  1
  H  H278  1  0.427329  0.497085  0.667245  1
  H  H279  1  0.453495  0.020164  0.638159  1
  H  H280  1  0.953495  0.520164  0.638159  1
  H  H281  1  0.666769  0.190019  0.691311  1
  H  H282  1  0.166769  0.690019  0.691311  1
  H  H283  1  0.036609  0.121978  0.709338  1
  H  H284  1  0.536609  0.621978  0.709338  1
  H  H285  1  0.847888  0.950688  0.712958  1
  H  H286  1  0.347888  0.450688  0.712958  1
  H  H287  1  0.395145  0.970271  0.691470  1
  H  H288  1  0.895145  0.470271  0.691470  1
