# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.48157641
_cell_length_b   11.98305395
_cell_length_c   52.66604625
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.04732935
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni60 H20'
_cell_volume   1566.12252167
_cell_formula_units_Z   20
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  0.742506  0.303246  0.347805  1
  Ni  Ni2  1  0.742954  0.767826  0.302317  1
  Ni  Ni3  1  0.742542  0.469317  0.320389  1
  Ni  Ni4  1  0.741746  0.004114  0.363975  1
  Ni  Ni5  1  0.742422  0.254165  0.303167  1
  Ni  Ni6  1  0.743144  0.806806  0.349393  1
  Ni  Ni7  1  0.242827  0.640956  0.332937  1
  Ni  Ni8  1  0.241920  0.086530  0.288860  1
  Ni  Ni9  1  0.243005  0.401546  0.282617  1
  Ni  Ni10  1  0.243643  0.935091  0.319967  1
  Ni  Ni11  1  0.242173  0.595689  0.288901  1
  Ni  Ni12  1  0.241824  0.130092  0.333355  1
  Ni  Ni13  1  0.741837  0.378617  0.440106  1
  Ni  Ni14  1  0.742273  0.840169  0.394685  1
  Ni  Ni15  1  0.741522  0.542584  0.409486  1
  Ni  Ni16  1  0.740990  0.080920  0.454988  1
  Ni  Ni17  1  0.742501  0.345230  0.394737  1
  Ni  Ni18  1  0.742228  0.883741  0.440760  1
  Ni  Ni19  1  0.241946  0.712892  0.424590  1
  Ni  Ni20  1  0.242228  0.176300  0.378609  1
  Ni  Ni21  1  0.242925  0.473787  0.364614  1
  Ni  Ni22  1  0.242693  0.011163  0.409699  1
  Ni  Ni23  1  0.241981  0.670032  0.378384  1
  Ni  Ni24  1  0.241451  0.208039  0.423896  1
  Ni  Ni25  1  0.741006  0.454350  0.531706  1
  Ni  Ni26  1  0.741407  0.916606  0.485933  1
  Ni  Ni27  1  0.740608  0.618606  0.500826  1
  Ni  Ni28  1  0.740172  0.156818  0.546276  1
  Ni  Ni29  1  0.741797  0.421590  0.486425  1
  Ni  Ni30  1  0.741387  0.959726  0.532044  1
  Ni  Ni31  1  0.241074  0.789111  0.515873  1
  Ni  Ni32  1  0.241475  0.251367  0.470100  1
  Ni  Ni33  1  0.242309  0.548900  0.455530  1
  Ni  Ni34  1  0.241873  0.087111  0.500980  1
  Ni  Ni35  1  0.241094  0.745992  0.469762  1
  Ni  Ni36  1  0.240684  0.284127  0.515381  1
  Ni  Ni37  1  0.740253  0.529418  0.623198  1
  Ni  Ni38  1  0.740535  0.992826  0.577216  1
  Ni  Ni39  1  0.739788  0.694555  0.592107  1
  Ni  Ni40  1  0.739556  0.231931  0.637192  1
  Ni  Ni41  1  0.741030  0.497679  0.577911  1
  Ni  Ni42  1  0.740500  0.035686  0.623423  1
  Ni  Ni43  1  0.240208  0.865549  0.607121  1
  Ni  Ni44  1  0.240644  0.327100  0.561700  1
  Ni  Ni45  1  0.241491  0.624798  0.546818  1
  Ni  Ni46  1  0.240959  0.163134  0.592320  1
  Ni  Ni47  1  0.240253  0.821977  0.561046  1
  Ni  Ni48  1  0.239980  0.360487  0.607069  1
  Ni  Ni49  1  0.740561  0.619187  0.712946  1
  Ni  Ni50  1  0.739654  0.064762  0.668869  1
  Ni  Ni51  1  0.738838  0.770627  0.681839  1
  Ni  Ni52  1  0.739476  0.304171  0.719189  1
  Ni  Ni53  1  0.740657  0.575625  0.668451  1
  Ni  Ni54  1  0.740308  0.110028  0.712905  1
  Ni  Ni55  1  0.239527  0.937891  0.699489  1
  Ni  Ni56  1  0.239975  0.402471  0.654001  1
  Ni  Ni57  1  0.240735  0.701603  0.637831  1
  Ni  Ni58  1  0.239939  0.236401  0.681418  1
  Ni  Ni59  1  0.239337  0.898912  0.652413  1
  Ni  Ni60  1  0.240059  0.451553  0.698640  1
  H  H61  1  0.242516  0.349920  0.317741  1
  H  H62  1  0.243288  0.847674  0.290577  1
  H  H63  1  0.742665  0.579649  0.355334  1
  H  H64  1  0.742212  0.055368  0.308504  1
  H  H65  1  0.241902  0.433004  0.416772  1
  H  H66  1  0.242294  0.896170  0.371980  1
  H  H67  1  0.741860  0.656581  0.447476  1
  H  H68  1  0.742204  0.118287  0.401272  1
  H  H69  1  0.241065  0.510655  0.508781  1
  H  H70  1  0.241466  0.973329  0.463110  1
  H  H71  1  0.741015  0.732389  0.538696  1
  H  H72  1  0.741416  0.195062  0.493025  1
  H  H73  1  0.240277  0.587431  0.600535  1
  H  H74  1  0.240621  0.049137  0.554331  1
  H  H75  1  0.740187  0.809548  0.629826  1
  H  H76  1  0.740579  0.272713  0.585034  1
  H  H77  1  0.240269  0.650350  0.693302  1
  H  H78  1  0.239816  0.126069  0.646472  1
  H  H79  1  0.739194  0.858043  0.711229  1
  H  H80  1  0.739965  0.355797  0.684065  1
