# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.05551444
_cell_length_b   10.31354965
_cell_length_c   56.84099355
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni144 H48'
_cell_volume   4136.17122648
_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  0.065974  0.417886  0.288001  1
  Ni  Ni2  1  0.055111  1.129388  0.248362  1
  Ni  Ni3  1  0.067612  0.731076  0.220456  1
  Ni  Ni4  1  0.697888  0.417441  0.287549  1
  Ni  Ni5  1  0.728396  1.133706  0.246460  1
  Ni  Ni6  1  0.711076  0.730907  0.219762  1
  Ni  Ni7  1  0.385442  0.529253  0.274242  1
  Ni  Ni8  1  0.390228  1.127828  0.246781  1
  Ni  Ni9  1  0.386527  0.842976  0.209890  1
  Ni  Ni10  1  0.553246  1.195377  0.283685  1
  Ni  Ni11  1  0.574846  0.912082  0.243598  1
  Ni  Ni12  1  0.551983  0.514216  0.216223  1
  Ni  Ni13  1  0.225421  1.195582  0.285164  1
  Ni  Ni14  1  0.201573  0.911358  0.243996  1
  Ni  Ni15  1  0.217502  0.506496  0.217776  1
  Ni  Ni16  1  -0.112648  0.353557  0.251081  1
  Ni  Ni17  1  -0.111099  0.958945  0.222224  1
  Ni  Ni18  1  -0.114491  0.645208  0.290436  1
  Ni  Ni19  1  0.552584  0.353010  0.249582  1
  Ni  Ni20  1  0.570433  1.067029  0.210754  1
  Ni  Ni21  1  0.573145  0.756434  0.277424  1
  Ni  Ni22  1  0.223392  0.348681  0.251060  1
  Ni  Ni23  1  0.207737  1.065585  0.211432  1
  Ni  Ni24  1  0.204471  0.753571  0.277352  1
  Ni  Ni25  1  -0.115216  0.505582  0.217050  1
  Ni  Ni26  1  -0.111763  1.196436  0.285149  1
  Ni  Ni27  1  -0.111947  0.798980  0.255948  1
  Ni  Ni28  1  0.045994  1.279443  0.214931  1
  Ni  Ni29  1  0.049664  0.972753  0.281710  1
  Ni  Ni30  1  0.065188  0.574803  0.253607  1
  Ni  Ni31  1  0.719128  1.286795  0.213378  1
  Ni  Ni32  1  0.723120  0.978097  0.280810  1
  Ni  Ni33  1  0.706053  0.576109  0.253227  1
  Ni  Ni34  1  0.382235  1.279357  0.213288  1
  Ni  Ni35  1  0.385689  0.974525  0.280688  1
  Ni  Ni36  1  0.386845  0.684145  0.240944  1
  Ni  Ni37  1  0.037421  0.506030  0.383606  1
  Ni  Ni38  1  0.061536  1.105101  0.356645  1
  Ni  Ni39  1  0.044676  0.817824  0.315384  1
  Ni  Ni40  1  0.709690  0.509472  0.385003  1
  Ni  Ni41  1  0.694130  1.102275  0.356513  1
  Ni  Ni42  1  0.716594  0.822001  0.315849  1
  Ni  Ni43  1  0.375744  0.507197  0.383511  1
  Ni  Ni44  1  0.380748  1.216215  0.343524  1
  Ni  Ni45  1  0.381110  0.819099  0.314802  1
  Ni  Ni46  1  0.565873  1.287787  0.380850  1
  Ni  Ni47  1  0.542340  0.882044  0.353492  1
  Ni  Ni48  1  0.569334  0.601204  0.311964  1
  Ni  Ni49  1  0.198617  1.287157  0.380434  1
  Ni  Ni50  1  0.214720  0.884627  0.352465  1
  Ni  Ni51  1  0.203074  0.598842  0.311712  1
  Ni  Ni52  1  0.879515  0.331523  0.359248  1
  Ni  Ni53  1  -0.115132  1.039927  0.319396  1
  Ni  Ni54  1  0.876074  0.727557  0.388111  1
  Ni  Ni55  1  0.567029  0.444613  0.346458  1
  Ni  Ni56  1  0.548855  1.038264  0.318348  1
  Ni  Ni57  1  0.537742  0.728171  0.388031  1
  Ni  Ni58  1  0.199872  0.443098  0.346088  1
  Ni  Ni59  1  0.220935  1.040726  0.318928  1
  Ni  Ni60  1  0.210042  0.725965  0.386616  1
  Ni  Ni61  1  -0.118111  0.488123  0.324842  1
  Ni  Ni62  1  0.879753  1.175108  0.393611  1
  Ni  Ni63  1  0.879912  0.883705  0.353749  1
  Ni  Ni64  1  0.063021  1.261343  0.322395  1
  Ni  Ni65  1  0.065795  0.947472  0.390771  1
  Ni  Ni66  1  0.040091  0.662248  0.349359  1
  Ni  Ni67  1  0.695914  1.259436  0.322036  1
  Ni  Ni68  1  0.698380  0.947227  0.391144  1
  Ni  Ni69  1  0.712244  0.665435  0.350509  1
  Ni  Ni70  1  0.383430  0.373359  0.309049  1
  Ni  Ni71  1  0.379948  1.059670  0.377960  1
  Ni  Ni72  1  0.377496  0.663463  0.349183  1
  Ni  Ni73  1  0.069334  0.477307  0.494014  1
  Ni  Ni74  1  0.042340  1.196467  0.452486  1
  Ni  Ni75  1  0.065873  0.790723  0.425127  1
  Ni  Ni76  1  0.703074  0.479668  0.494266  1
  Ni  Ni77  1  0.714720  1.193884  0.453512  1
  Ni  Ni78  1  0.698617  0.791353  0.425544  1
  Ni  Ni79  1  0.381889  0.590387  0.481135  1
  Ni  Ni80  1  0.379912  1.194806  0.452229  1
  Ni  Ni81  1  0.379753  0.903402  0.412366  1
  Ni  Ni82  1  0.544676  1.260687  0.490594  1
  Ni  Ni83  1  0.561536  0.973409  0.449333  1
  Ni  Ni84  1  0.537421  0.572480  0.422372  1
  Ni  Ni85  1  0.216594  1.256510  0.490129  1
  Ni  Ni86  1  0.194130  0.976235  0.449465  1
  Ni  Ni87  1  0.209690  0.569038  0.420975  1
  Ni  Ni88  1  0.877496  0.415047  0.456795  1
  Ni  Ni89  1  0.879948  1.018840  0.428017  1
  Ni  Ni90  1  -0.116570  0.705151  0.496928  1
  Ni  Ni91  1  0.540091  0.416263  0.456619  1
  Ni  Ni92  1  0.565795  1.131039  0.415207  1
  Ni  Ni93  1  0.563021  0.817167  0.483583  1
  Ni  Ni94  1  0.212244  0.413076  0.455468  1
  Ni  Ni95  1  0.198380  1.131284  0.414833  1
  Ni  Ni96  1  0.195914  0.819075  0.483942  1
  Ni  Ni97  1  0.875744  0.571314  0.422467  1
  Ni  Ni98  1  -0.118890  1.259412  0.491176  1
  Ni  Ni99  1  -0.119252  0.862296  0.462454  1
  Ni  Ni100  1  0.037742  0.350340  0.417946  1
  Ni  Ni101  1  0.048855  1.040247  0.487629  1
  Ni  Ni102  1  0.067029  0.633898  0.459520  1
  Ni  Ni103  1  0.710042  0.352545  0.419361  1
  Ni  Ni104  1  0.720935  1.037785  0.487049  1
  Ni  Ni105  1  0.699872  0.635412  0.459890  1
  Ni  Ni106  1  0.376074  0.350954  0.417867  1
  Ni  Ni107  1  0.384868  1.038583  0.486582  1
  Ni  Ni108  1  0.379515  0.746988  0.446730  1
  Ni  Ni109  1  0.051983  0.564295  0.589755  1
  Ni  Ni110  1  0.074846  1.166428  0.562379  1
  Ni  Ni111  1  0.053246  0.883134  0.522293  1
  Ni  Ni112  1  0.717502  0.572014  0.588201  1
  Ni  Ni113  1  0.701573  1.167152  0.561981  1
  Ni  Ni114  1  0.725421  0.882929  0.520813  1
  Ni  Ni115  1  0.384784  0.572929  0.588928  1
  Ni  Ni116  1  0.388053  1.279530  0.550029  1
  Ni  Ni117  1  0.388237  0.882075  0.520828  1
  Ni  Ni118  1  0.567612  0.347434  0.585521  1
  Ni  Ni119  1  0.555111  0.949122  0.557616  1
  Ni  Ni120  1  0.565974  0.660625  0.517977  1
  Ni  Ni121  1  0.211076  0.347603  0.586215  1
  Ni  Ni122  1  0.228396  0.944804  0.559518  1
  Ni  Ni123  1  0.197888  0.661070  0.518429  1
  Ni  Ni124  1  -0.113155  0.394366  0.565034  1
  Ni  Ni125  1  -0.114311  1.103985  0.525290  1
  Ni  Ni126  1  -0.117765  0.799153  0.592689  1
  Ni  Ni127  1  0.565188  0.503708  0.552370  1
  Ni  Ni128  1  0.549664  1.105757  0.524268  1
  Ni  Ni129  1  0.545994  0.799067  0.591047  1
  Ni  Ni130  1  0.206053  0.502402  0.552750  1
  Ni  Ni131  1  0.223120  1.100414  0.525168  1
  Ni  Ni132  1  0.219128  0.791716  0.592600  1
  Ni  Ni133  1  -0.114558  0.549258  0.531735  1
  Ni  Ni134  1  -0.113473  1.235534  0.596088  1
  Ni  Ni135  1  -0.109772  0.950682  0.559196  1
  Ni  Ni136  1  0.073145  1.322077  0.528553  1
  Ni  Ni137  1  0.070433  1.011482  0.595224  1
  Ni  Ni138  1  0.052584  0.725501  0.556395  1
  Ni  Ni139  1  0.704471  0.324940  0.528626  1
  Ni  Ni140  1  0.707737  1.012926  0.594546  1
  Ni  Ni141  1  0.723392  0.729830  0.554917  1
  Ni  Ni142  1  0.385509  0.433302  0.515541  1
  Ni  Ni143  1  0.388901  1.119566  0.583754  1
  Ni  Ni144  1  0.387352  0.724954  0.554896  1
  H  H145  1  -0.117006  0.502001  0.271580  1
  H  H146  1  0.792576  1.124137  0.212443  1
  H  H147  1  -0.106888  0.815525  0.206642  1
  H  H148  1  0.417780  0.349036  0.277282  1
  H  H149  1  0.390070  0.984365  0.221413  1
  H  H150  1  0.388510  0.672060  0.293692  1
  H  H151  1  0.389650  0.418457  0.226946  1
  H  H152  1  0.418253  1.191633  0.311804  1
  H  H153  1  0.389277  0.830006  0.259469  1
  H  H154  1  -0.110205  0.365532  0.198092  1
  H  H155  1  -0.110961  0.979390  0.252454  1
  H  H156  1  0.717079  0.596731  0.201478  1
  H  H157  1  0.844355  0.512522  0.356744  1
  H  H158  1  0.877488  1.187355  0.340273  1
  H  H159  1  0.853328  0.825906  0.287961  1
  H  H160  1  0.383711  0.360078  0.362538  1
  H  H161  1  0.411683  1.034463  0.346208  1
  H  H162  1  0.343161  0.722255  0.414861  1
  H  H163  1  0.385806  0.516565  0.328204  1
  H  H164  1  0.382724  1.203794  0.396920  1
  H  H165  1  0.346499  0.878827  0.380482  1
  H  H166  1  0.879649  0.344295  0.305861  1
  H  H167  1  0.879656  1.030945  0.374665  1
  H  H168  1  0.847462  0.669003  0.322378  1
  H  H169  1  -0.114194  0.561946  0.477773  1
  H  H170  1  0.846499  1.199684  0.425496  1
  H  H171  1  -0.117276  0.874717  0.409058  1
  H  H172  1  0.347462  0.409507  0.483600  1
  H  H173  1  0.379656  1.047566  0.431313  1
  H  H174  1  0.379649  0.734216  0.500117  1
  H  H175  1  0.344355  0.565988  0.449234  1
  H  H176  1  0.353328  1.252605  0.518016  1
  H  H177  1  0.377488  0.891156  0.465705  1
  H  H178  1  0.843161  0.356255  0.391117  1
  H  H179  1  -0.088317  1.044047  0.459769  1
  H  H180  1  -0.116289  0.718433  0.443439  1
  H  H181  1  -0.110350  0.660053  0.579032  1
  H  H182  1  -0.110723  1.248504  0.546508  1
  H  H183  1  -0.081747  0.886878  0.494173  1
  H  H184  1  0.217079  0.481779  0.604500  1
  H  H185  1  0.389039  1.099120  0.553524  1
  H  H186  1  0.389795  0.712978  0.607885  1
  H  H187  1  0.382994  0.576510  0.534397  1
  H  H188  1  0.393112  1.262985  0.599336  1
  H  H189  1  0.292576  0.954373  0.593535  1
  H  H190  1  -0.111490  0.406451  0.512285  1
  H  H191  1  -0.109930  1.094146  0.584564  1
  H  H192  1  -0.082220  0.729475  0.528695  1
