# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.95234740
_cell_length_b   6.71195391
_cell_length_c   66.45197317
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni240 H80'
_cell_volume   6534.34170505
_cell_formula_units_Z   80
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  0.025703  0.411927  0.188707  1
  Ni  Ni2  1  0.525703  0.911927  0.188707  1
  Ni  Ni3  1  0.419941  1.374146  0.229930  1
  Ni  Ni4  1  -0.080059  0.874145  0.229930  1
  Ni  Ni5  1  0.058770  1.317373  0.154370  1
  Ni  Ni6  1  0.558770  0.817373  0.154370  1
  Ni  Ni7  1  0.457485  1.289363  0.192895  1
  Ni  Ni8  1  -0.042515  0.789363  0.192895  1
  Ni  Ni9  1  -0.120244  1.321947  0.178679  1
  Ni  Ni10  1  0.379756  0.821947  0.178679  1
  Ni  Ni11  1  0.267888  1.301497  0.222953  1
  Ni  Ni12  1  0.767888  0.801497  0.222953  1
  Ni  Ni13  1  0.305668  1.218716  0.186736  1
  Ni  Ni14  1  0.805668  0.718715  0.186736  1
  Ni  Ni15  1  0.701170  1.183765  0.228366  1
  Ni  Ni16  1  0.201170  0.683765  0.228366  1
  Ni  Ni17  1  0.172023  0.490625  0.195238  1
  Ni  Ni18  1  0.672023  0.990625  0.195238  1
  Ni  Ni19  1  0.771107  0.537055  0.155757  1
  Ni  Ni20  1  0.271107  1.037055  0.155757  1
  Ni  Ni21  1  0.156895  1.136121  0.180405  1
  Ni  Ni22  1  0.656895  0.636121  0.180405  1
  Ni  Ni23  1  0.554054  1.103339  0.221802  1
  Ni  Ni24  1  0.054054  0.603339  0.221802  1
  Ni  Ni25  1  -0.026139  1.135389  0.208130  1
  Ni  Ni26  1  0.473861  0.635389  0.208130  1
  Ni  Ni27  1  0.577336  1.172841  0.167099  1
  Ni  Ni28  1  0.077336  0.672842  0.167099  1
  Ni  Ni29  1  -0.097493  0.527659  0.214241  1
  Ni  Ni30  1  0.402507  1.027659  0.214241  1
  Ni  Ni31  1  0.514537  0.538787  0.171587  1
  Ni  Ni32  1  0.014537  1.038787  0.171587  1
  Ni  Ni33  1  0.820712  1.065728  0.201006  1
  Ni  Ni34  1  0.320712  0.565728  0.201006  1
  Ni  Ni35  1  0.426216  1.108479  0.160608  1
  Ni  Ni36  1  -0.073784  0.608479  0.160608  1
  Ni  Ni37  1  0.362248  0.481209  0.164960  1
  Ni  Ni38  1  0.862248  0.981209  0.164960  1
  Ni  Ni39  1  0.754931  0.443562  0.206342  1
  Ni  Ni40  1  0.254931  0.943563  0.206342  1
  Ni  Ni41  1  0.122302  1.217202  0.216273  1
  Ni  Ni42  1  0.622302  0.717202  0.216273  1
  Ni  Ni43  1  0.724522  1.254134  0.173200  1
  Ni  Ni44  1  0.224522  0.754134  0.173200  1
  Ni  Ni45  1  0.210847  0.401539  0.159771  1
  Ni  Ni46  1  0.710847  0.901539  0.159771  1
  Ni  Ni47  1  0.607269  1.361650  0.200197  1
  Ni  Ni48  1  0.107269  0.861650  0.200197  1
  Ni  Ni49  1  0.816087  1.343331  0.273225  1
  Ni  Ni50  1  0.316087  0.843331  0.273225  1
  Ni  Ni51  1  0.212207  1.313204  0.316490  1
  Ni  Ni52  1  0.712207  0.813205  0.316490  1
  Ni  Ni53  1  0.851410  1.261652  0.235553  1
  Ni  Ni54  1  0.351410  0.761652  0.235553  1
  Ni  Ni55  1  0.247042  1.231976  0.279006  1
  Ni  Ni56  1  0.747042  0.731976  0.279007  1
  Ni  Ni57  1  0.663958  1.270071  0.265705  1
  Ni  Ni58  1  0.163958  0.770071  0.265705  1
  Ni  Ni59  1  0.060390  1.239566  0.308906  1
  Ni  Ni60  1  0.560390  0.739566  0.308906  1
  Ni  Ni61  1  0.097826  1.152120  0.271612  1
  Ni  Ni62  1  0.597826  0.652120  0.271612  1
  Ni  Ni63  1  0.493991  1.122049  0.314873  1
  Ni  Ni64  1  -0.006009  0.622049  0.314873  1
  Ni  Ni65  1  -0.034608  0.423094  0.280675  1
  Ni  Ni66  1  0.465392  0.923094  0.280675  1
  Ni  Ni67  1  0.569151  0.453142  0.237350  1
  Ni  Ni68  1  0.069151  0.953143  0.237350  1
  Ni  Ni69  1  -0.049168  1.070499  0.264946  1
  Ni  Ni70  1  0.450832  0.570499  0.264946  1
  Ni  Ni71  1  0.347138  1.040260  0.308220  1
  Ni  Ni72  1  0.847138  0.540260  0.308220  1
  Ni  Ni73  1  0.764040  1.078481  0.294876  1
  Ni  Ni74  1  0.264040  0.578481  0.294876  1
  Ni  Ni75  1  0.367911  1.108958  0.251685  1
  Ni  Ni76  1  -0.132089  0.608958  0.251685  1
  Ni  Ni77  1  0.695344  0.466635  0.300624  1
  Ni  Ni78  1  0.195343  0.966635  0.300624  1
  Ni  Ni79  1  0.298836  0.497688  0.257366  1
  Ni  Ni80  1  0.798836  0.997688  0.257366  1
  Ni  Ni81  1  0.612162  1.004880  0.287301  1
  Ni  Ni82  1  0.112162  0.504880  0.287301  1
  Ni  Ni83  1  0.216661  1.033161  0.244059  1
  Ni  Ni84  1  0.716661  0.533161  0.244059  1
  Ni  Ni85  1  0.149133  0.418501  0.250007  1
  Ni  Ni86  1  0.649133  0.918501  0.250007  1
  Ni  Ni87  1  0.545787  1.387321  0.293267  1
  Ni  Ni88  1  0.045787  0.887321  0.293267  1
  Ni  Ni89  1  -0.086514  1.157943  0.302249  1
  Ni  Ni90  1  0.413486  0.657943  0.302249  1
  Ni  Ni91  1  0.517064  1.188922  0.259037  1
  Ni  Ni92  1  0.017064  0.688922  0.259037  1
  Ni  Ni93  1  0.002555  1.336177  0.243472  1
  Ni  Ni94  1  0.502555  0.836177  0.243472  1
  Ni  Ni95  1  0.398890  1.305540  0.286589  1
  Ni  Ni96  1  -0.101110  0.805540  0.286589  1
  Ni  Ni97  1  0.608555  1.282925  0.359727  1
  Ni  Ni98  1  0.108555  0.782925  0.359727  1
  Ni  Ni99  1  0.004931  1.252629  0.402954  1
  Ni  Ni100  1  0.504931  0.752629  0.402954  1
  Ni  Ni101  1  0.643435  1.201561  0.322249  1
  Ni  Ni102  1  0.143435  0.701561  0.322249  1
  Ni  Ni103  1  0.039815  1.171300  0.365476  1
  Ni  Ni104  1  0.539815  0.671300  0.365476  1
  Ni  Ni105  1  0.456680  1.209396  0.352145  1
  Ni  Ni106  1  -0.043320  0.709396  0.352144  1
  Ni  Ni107  1  0.853036  1.179149  0.395375  1
  Ni  Ni108  1  0.353036  0.679149  0.395375  1
  Ni  Ni109  1  -0.109637  1.091695  0.358115  1
  Ni  Ni110  1  0.390363  0.591695  0.358115  1
  Ni  Ni111  1  0.286728  1.061417  0.401343  1
  Ni  Ni112  1  0.786728  0.561418  0.401343  1
  Ni  Ni113  1  0.758016  1.362478  0.367091  1
  Ni  Ni114  1  0.258016  0.862478  0.367091  1
  Ni  Ni115  1  0.361651  1.392799  0.323861  1
  Ni  Ni116  1  0.861651  0.892799  0.323861  1
  Ni  Ni117  1  0.743491  1.009947  0.351444  1
  Ni  Ni118  1  0.243491  0.509947  0.351444  1
  Ni  Ni119  1  0.139861  0.979665  0.394669  1
  Ni  Ni120  1  0.639861  0.479666  0.394670  1
  Ni  Ni121  1  0.556752  1.017798  0.381343  1
  Ni  Ni122  1  0.056752  0.517798  0.381343  1
  Ni  Ni123  1  0.160394  1.048049  0.338108  1
  Ni  Ni124  1  0.660394  0.548050  0.338108  1
  Ni  Ni125  1  0.487971  0.406187  0.387100  1
  Ni  Ni126  1  -0.012029  0.906187  0.387100  1
  Ni  Ni127  1  0.091616  0.436410  0.343862  1
  Ni  Ni128  1  0.591616  0.936410  0.343862  1
  Ni  Ni129  1  0.404874  0.944268  0.373757  1
  Ni  Ni130  1  -0.095126  0.444267  0.373757  1
  Ni  Ni131  1  0.008505  0.974551  0.330531  1
  Ni  Ni132  1  0.508505  0.474551  0.330531  1
  Ni  Ni133  1  -0.057801  1.356842  0.336490  1
  Ni  Ni134  1  0.442199  0.856842  0.336490  1
  Ni  Ni135  1  0.338541  1.326594  0.379727  1
  Ni  Ni136  1  0.838541  0.826594  0.379727  1
  Ni  Ni137  1  0.706179  1.097343  0.388712  1
  Ni  Ni138  1  0.206178  0.597343  0.388712  1
  Ni  Ni139  1  0.309831  1.127647  0.345479  1
  Ni  Ni140  1  0.809831  0.627647  0.345479  1
  Ni  Ni141  1  0.795340  1.275091  0.329830  1
  Ni  Ni142  1  0.295340  0.775091  0.329830  1
  Ni  Ni143  1  0.191689  1.244816  0.373065  1
  Ni  Ni144  1  0.691690  0.744815  0.373065  1
  Ni  Ni145  1  0.401339  1.222237  0.446200  1
  Ni  Ni146  1  -0.098661  0.722237  0.446200  1
  Ni  Ni147  1  0.796956  1.192556  0.489653  1
  Ni  Ni148  1  0.296956  0.692556  0.489653  1
  Ni  Ni149  1  0.436170  1.140950  0.408709  1
  Ni  Ni150  1  -0.063830  0.640950  0.408709  1
  Ni  Ni151  1  0.832290  1.110906  0.451978  1
  Ni  Ni152  1  0.332290  0.610906  0.451978  1
  Ni  Ni153  1  0.249486  1.148660  0.438613  1
  Ni  Ni154  1  0.749486  0.648660  0.438613  1
  Ni  Ni155  1  0.645807  1.118027  0.481734  1
  Ni  Ni156  1  0.145807  0.618027  0.481733  1
  Ni  Ni157  1  0.682973  1.031100  0.444526  1
  Ni  Ni158  1  0.182973  0.531100  0.444526  1
  Ni  Ni159  1  0.079222  1.001074  0.487854  1
  Ni  Ni160  1  0.579222  0.501074  0.487853  1
  Ni  Ni161  1  0.550536  1.302116  0.453589  1
  Ni  Ni162  1  0.050536  0.802116  0.453589  1
  Ni  Ni163  1  0.154388  1.332157  0.410328  1
  Ni  Ni164  1  0.654388  0.832157  0.410328  1
  Ni  Ni165  1  0.536219  0.949303  0.437902  1
  Ni  Ni166  1  0.036219  0.449303  0.437902  1
  Ni  Ni167  1  -0.068292  0.921039  0.481149  1
  Ni  Ni168  1  0.431708  0.421039  0.481149  1
  Ni  Ni169  1  0.349526  0.956521  0.467839  1
  Ni  Ni170  1  0.849525  0.456522  0.467839  1
  Ni  Ni171  1  -0.046968  0.987568  0.424578  1
  Ni  Ni172  1  0.453032  0.487569  0.424578  1
  Ni  Ni173  1  0.280462  1.345286  0.473516  1
  Ni  Ni174  1  0.780462  0.845286  0.473515  1
  Ni  Ni175  1  -0.115660  1.375728  0.430326  1
  Ni  Ni176  1  0.384340  0.875727  0.430326  1
  Ni  Ni177  1  0.197544  0.883678  0.460258  1
  Ni  Ni178  1  0.697544  1.383678  0.460258  1
  Ni  Ni179  1  0.801240  0.913951  0.416986  1
  Ni  Ni180  1  0.301240  0.413951  0.416986  1
  Ni  Ni181  1  0.734886  1.296323  0.422955  1
  Ni  Ni182  1  0.234886  0.796323  0.422955  1
  Ni  Ni183  1  0.131299  1.265270  0.466168  1
  Ni  Ni184  1  0.631300  0.765270  0.466168  1
  Ni  Ni185  1  0.499241  1.035705  0.475197  1
  Ni  Ni186  1  -0.000759  0.535705  0.475197  1
  Ni  Ni187  1  0.102590  1.066927  0.431936  1
  Ni  Ni188  1  0.602590  0.566927  0.431936  1
  Ni  Ni189  1  0.587975  1.214643  0.416298  1
  Ni  Ni190  1  0.087975  0.714643  0.416298  1
  Ni  Ni191  1  -0.015589  1.184124  0.459498  1
  Ni  Ni192  1  0.484411  0.684124  0.459498  1
  Ni  Ni193  1  0.190880  1.164829  0.532308  1
  Ni  Ni194  1  0.690880  0.664829  0.532308  1
  Ni  Ni195  1  0.589602  1.136817  0.570828  1
  Ni  Ni196  1  0.089602  0.636816  0.570828  1
  Ni  Ni197  1  0.228439  1.080044  0.495272  1
  Ni  Ni198  1  0.728439  0.580044  0.495272  1
  Ni  Ni199  1  0.622681  1.042326  0.536498  1
  Ni  Ni200  1  0.122681  0.542326  0.536498  1
  Ni  Ni201  1  0.041100  1.092558  0.525007  1
  Ni  Ni202  1  0.541100  0.592558  0.525007  1
  Ni  Ni203  1  0.437538  1.052665  0.565430  1
  Ni  Ni204  1  -0.062462  0.552665  0.565430  1
  Ni  Ni205  1  0.476358  0.963583  0.529964  1
  Ni  Ni206  1  -0.023642  0.463583  0.529964  1
  Ni  Ni207  1  -0.122725  0.917146  0.569446  1
  Ni  Ni208  1  0.377275  0.417146  0.569445  1
  Ni  Ni209  1  0.342699  1.235495  0.538469  1
  Ni  Ni210  1  0.842700  0.735495  0.538469  1
  Ni  Ni211  1  -0.052790  1.270454  0.496837  1
  Ni  Ni212  1  0.447210  0.770454  0.496837  1
  Ni  Ni213  1  0.327654  0.888510  0.524195  1
  Ni  Ni214  1  0.827654  1.388510  0.524195  1
  Ni  Ni215  1  0.722159  0.845709  0.564594  1
  Ni  Ni216  1  0.222159  1.345710  0.564594  1
  Ni  Ni217  1  0.133830  0.915440  0.553618  1
  Ni  Ni218  1  0.633830  0.415441  0.553618  1
  Ni  Ni219  1  0.745873  0.926544  0.510967  1
  Ni  Ni220  1  0.245873  0.426544  0.510967  1
  Ni  Ni221  1  0.071013  1.281350  0.558105  1
  Ni  Ni222  1  0.571013  0.781350  0.558105  1
  Ni  Ni223  1  0.674508  1.318797  0.517073  1
  Ni  Ni224  1  0.174507  0.818797  0.517073  1
  Ni  Ni225  1  -0.008537  0.818125  0.544795  1
  Ni  Ni226  1  0.491463  1.318125  0.544795  1
  Ni  Ni227  1  0.594329  0.850894  0.503405  1
  Ni  Ni228  1  0.094329  1.350894  0.503405  1
  Ni  Ni229  1  0.526081  1.236983  0.508932  1
  Ni  Ni230  1  0.026082  0.736983  0.508932  1
  Ni  Ni231  1  -0.076150  1.200101  0.552005  1
  Ni  Ni232  1  0.423851  0.700101  0.552005  1
  Ni  Ni233  1  0.286137  0.972989  0.560243  1
  Ni  Ni234  1  0.786137  0.472989  0.560243  1
  Ni  Ni235  1  -0.106564  1.010668  0.518864  1
  Ni  Ni236  1  0.393435  0.510668  0.518864  1
  Ni  Ni237  1  0.380492  1.152716  0.502254  1
  Ni  Ni238  1  -0.119508  0.652716  0.502254  1
  Ni  Ni239  1  0.768632  1.132284  0.546526  1
  Ni  Ni240  1  0.268632  0.632284  0.546526  1
  H  H241  1  -0.050383  1.196849  0.155799  1
  H  H242  1  0.449617  0.696849  0.155799  1
  H  H243  1  0.414254  1.057420  0.185389  1
  H  H244  1  -0.085746  0.557420  0.185389  1
  H  H245  1  0.013257  1.373281  0.216078  1
  H  H246  1  0.513257  0.873281  0.216078  1
  H  H247  1  0.669676  0.697810  0.151643  1
  H  H248  1  0.169676  1.197810  0.151643  1
  H  H249  1  0.863685  1.291632  0.206884  1
  H  H250  1  0.363685  0.791632  0.206884  1
  H  H251  1  0.469221  1.323432  0.161444  1
  H  H252  1  -0.030779  0.823432  0.161444  1
  H  H253  1  -0.038472  1.107711  0.236758  1
  H  H254  1  0.461528  0.607711  0.236758  1
  H  H255  1  0.767507  1.078955  0.151945  1
  H  H256  1  0.267507  0.578955  0.151945  1
  H  H257  1  0.809328  1.029668  0.229134  1
  H  H258  1  0.309328  0.529668  0.229134  1
  H  H259  1  0.205587  0.997455  0.272247  1
  H  H260  1  0.705587  0.497455  0.272247  1
  H  H261  1  0.805740  1.312319  0.301644  1
  H  H262  1  0.305740  0.812319  0.301644  1
  H  H263  1  0.409202  1.343178  0.258410  1
  H  H264  1  -0.090798  0.843178  0.258410  1
  H  H265  1  0.653575  1.232708  0.293868  1
  H  H266  1  0.153575  0.732708  0.293868  1
  H  H267  1  0.256911  1.262935  0.250874  1
  H  H268  1  0.756911  0.762935  0.250874  1
  H  H269  1  0.753854  1.047257  0.323277  1
  H  H270  1  0.253854  0.547257  0.323277  1
  H  H271  1  0.357551  1.077482  0.280080  1
  H  H272  1  0.857551  0.577482  0.280080  1
  H  H273  1  0.601777  0.967509  0.315466  1
  H  H274  1  0.101777  0.467509  0.315466  1
  H  H275  1  -0.001847  0.937249  0.358699  1
  H  H276  1  0.498153  0.437249  0.358699  1
  H  H277  1  0.598389  1.251835  0.388126  1
  H  H278  1  0.098389  0.751835  0.388126  1
  H  H279  1  0.202040  1.282102  0.344892  1
  H  H280  1  0.702040  0.782102  0.344892  1
  H  H281  1  0.446337  1.172103  0.380312  1
  H  H282  1  -0.053663  0.672103  0.380312  1
  H  H283  1  0.049985  1.202378  0.337079  1
  H  H284  1  0.549985  0.702378  0.337079  1
  H  H285  1  0.546591  0.986713  0.409737  1
  H  H286  1  0.046591  0.486713  0.409737  1
  H  H287  1  0.150219  1.016959  0.366505  1
  H  H288  1  0.650219  0.516959  0.366505  1
  H  H289  1  0.394518  0.906954  0.401928  1
  H  H290  1  -0.105482  0.406954  0.401928  1
  H  H291  1  0.790818  0.876734  0.445123  1
  H  H292  1  0.290818  1.376734  0.445123  1
  H  H293  1  0.391466  1.191274  0.474329  1
  H  H294  1  -0.108534  0.691274  0.474329  1
  H  H295  1  -0.005201  1.221509  0.431336  1
  H  H296  1  0.494799  0.721508  0.431336  1
  H  H297  1  0.239172  1.111033  0.466794  1
  H  H298  1  0.739172  0.611033  0.466794  1
  H  H299  1  0.842635  1.141883  0.423559  1
  H  H300  1  0.342635  0.641883  0.423559  1
  H  H301  1  0.339040  0.924545  0.496070  1
  H  H302  1  0.839040  0.424545  0.496070  1
  H  H303  1  -0.057208  0.956761  0.452955  1
  H  H304  1  0.442792  0.456761  0.452955  1
  H  H305  1  0.186848  0.846505  0.488445  1
  H  H306  1  0.686848  1.346505  0.488445  1
  H  H307  1  0.380865  0.875256  0.573258  1
  H  H308  1  -0.119135  1.375256  0.573258  1
  H  H309  1  0.179152  1.130784  0.563759  1
  H  H310  1  0.679152  0.630784  0.563759  1
  H  H311  1  0.784691  1.162572  0.518319  1
  H  H312  1  0.284691  0.662572  0.518319  1
  H  H313  1  -0.021306  0.756404  0.573560  1
  H  H314  1  0.478694  1.256404  0.573560  1
  H  H315  1  0.635109  1.080934  0.509125  1
  H  H316  1  0.135109  0.580934  0.509125  1
  H  H317  1  0.198755  0.757366  0.569404  1
  H  H318  1  0.698755  1.257366  0.569404  1
  H  H319  1  0.734117  0.896791  0.539814  1
  H  H320  1  0.234117  0.396791  0.539814  1
