# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83317373
_cell_length_b   7.83798524
_cell_length_c   47.68344429
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.71796554
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni66 H22'
_cell_volume   1774.84784821
_cell_formula_units_Z   22
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  0.541009  0.220913  0.316259  1
  Ni  Ni2  1  0.733156  0.985767  0.292291  1
  Ni  Ni3  1  0.035511  0.215114  0.317336  1
  Ni  Ni4  1  0.400954  0.711900  0.286596  1
  Ni  Ni5  1  0.221402  0.934703  0.312746  1
  Ni  Ni6  1  0.902119  0.709039  0.287046  1
  Ni  Ni7  1  0.489707  0.014724  0.357182  1
  Ni  Ni8  1  0.681780  0.786495  0.330265  1
  Ni  Ni9  1  0.982412  0.008023  0.357365  1
  Ni  Ni10  1  0.363567  0.499010  0.322142  1
  Ni  Ni11  1  0.172250  0.723648  0.351472  1
  Ni  Ni12  1  0.868442  0.501203  0.323610  1
  Ni  Ni13  1  0.435161  0.805432  0.397588  1
  Ni  Ni14  1  0.622757  0.578040  0.368029  1
  Ni  Ni15  1  0.927416  0.796936  0.397374  1
  Ni  Ni16  1  0.310705  0.292466  0.362318  1
  Ni  Ni17  1  0.118692  0.515615  0.392627  1
  Ni  Ni18  1  0.817955  0.297375  0.362974  1
  Ni  Ni19  1  0.383417  0.598649  0.438139  1
  Ni  Ni20  1  0.571723  0.374514  0.407797  1
  Ni  Ni21  1  0.874239  0.589961  0.437890  1
  Ni  Ni22  1  0.256939  0.085441  0.402491  1
  Ni  Ni23  1  0.067550  0.308020  0.433353  1
  Ni  Ni24  1  0.765970  0.093118  0.403074  1
  Ni  Ni25  1  0.331868  0.391939  0.478584  1
  Ni  Ni26  1  0.519560  0.169210  0.447815  1
  Ni  Ni27  1  0.822211  0.383037  0.478279  1
  Ni  Ni28  1  0.204283  0.878691  0.442745  1
  Ni  Ni29  1  0.015609  0.100629  0.473750  1
  Ni  Ni30  1  0.713853  0.886987  0.443100  1
  Ni  Ni31  1  0.280250  0.185246  0.518942  1
  Ni  Ni32  1  0.468248  0.963186  0.487967  1
  Ni  Ni33  1  0.770511  0.176421  0.518628  1
  Ni  Ni34  1  0.152473  0.672171  0.483103  1
  Ni  Ni35  1  0.964475  0.894232  0.514078  1
  Ni  Ni36  1  0.662212  0.680997  0.483418  1
  Ni  Ni37  1  0.228440  0.978727  0.559300  1
  Ni  Ni38  1  0.417114  0.756788  0.528295  1
  Ni  Ni39  1  0.718870  0.970430  0.558945  1
  Ni  Ni40  1  0.100855  0.465479  0.523461  1
  Ni  Ni41  1  0.913163  0.688207  0.554230  1
  Ni  Ni42  1  0.610512  0.474381  0.523766  1
  Ni  Ni43  1  0.175784  0.771976  0.599554  1
  Ni  Ni44  1  0.365173  0.549397  0.568693  1
  Ni  Ni45  1  0.666753  0.764300  0.598971  1
  Ni  Ni46  1  0.049306  0.258768  0.563907  1
  Ni  Ni47  1  0.861000  0.482904  0.594248  1
  Ni  Ni48  1  0.558484  0.267456  0.564156  1
  Ni  Ni49  1  0.122017  0.564952  0.639728  1
  Ni  Ni50  1  0.314030  0.341803  0.609419  1
  Ni  Ni51  1  0.614768  0.560042  0.639071  1
  Ni  Ni52  1  0.997562  0.051985  0.604457  1
  Ni  Ni53  1  0.809966  0.279377  0.634016  1
  Ni  Ni54  1  0.505307  0.060482  0.604671  1
  Ni  Ni55  1  0.069156  0.358408  0.679903  1
  Ni  Ni56  1  0.260473  0.133769  0.650573  1
  Ni  Ni57  1  0.564281  0.356215  0.678435  1
  Ni  Ni58  1  0.943016  0.842694  0.644863  1
  Ni  Ni59  1  0.750943  0.070923  0.671780  1
  Ni  Ni60  1  0.450311  0.849395  0.644680  1
  Ni  Ni61  1  0.031769  0.145517  0.715449  1
  Ni  Ni62  1  0.211321  0.922715  0.689299  1
  Ni  Ni63  1  0.530604  0.148378  0.714999  1
  Ni  Ni64  1  0.891714  0.636505  0.685786  1
  Ni  Ni65  1  0.699567  0.871651  0.709754  1
  Ni  Ni66  1  0.397212  0.642303  0.684709  1
  H  H67  1  0.789640  0.196846  0.285719  1
  H  H68  1  0.148274  0.671034  0.309156  1
  H  H69  1  0.697042  0.033179  0.325186  1
  H  H70  1  0.157244  0.487750  0.353961  1
  H  H71  1  0.654802  0.822315  0.366897  1
  H  H72  1  0.104668  0.281651  0.395037  1
  H  H73  1  0.591312  0.610548  0.405991  1
  H  H74  1  0.051513  0.074110  0.435273  1
  H  H75  1  0.537986  0.403708  0.446085  1
  H  H76  1  0.998979  0.867213  0.475508  1
  H  H77  1  0.485908  0.196921  0.486290  1
  H  H78  1  0.946814  0.660497  0.515755  1
  H  H79  1  0.433744  0.990205  0.526537  1
  H  H80  1  0.894737  0.453709  0.555960  1
  H  H81  1  0.381210  0.783307  0.566772  1
  H  H82  1  0.841411  0.246870  0.596054  1
  H  H83  1  0.328055  0.575766  0.607008  1
  H  H84  1  0.777921  0.035102  0.635148  1
  H  H85  1  0.275479  0.369668  0.648084  1
  H  H86  1  0.735681  0.824239  0.676859  1
  H  H87  1  0.284448  0.186383  0.692889  1
  H  H88  1  0.643083  0.660571  0.716326  1
