# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.47804580
_cell_length_b   12.39216550
_cell_length_c   51.19368975
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.95822182
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni60 H20'
_cell_volume   1572.07351444
_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  0.742012  0.105783  0.274670  1
  Ni  Ni2  1  0.741781  0.751282  0.318328  1
  Ni  Ni3  1  0.741692  0.261371  0.302921  1
  Ni  Ni4  1  0.742207  0.920733  0.343513  1
  Ni  Ni5  1  0.741370  0.580620  0.340465  1
  Ni  Ni6  1  0.741679  0.929649  0.294691  1
  Ni  Ni7  1  0.241492  0.590526  0.296084  1
  Ni  Ni8  1  0.241707  0.252114  0.345179  1
  Ni  Ni9  1  0.241138  0.402948  0.277257  1
  Ni  Ni10  1  0.241797  0.082957  0.317034  1
  Ni  Ni11  1  0.241658  0.425571  0.322424  1
  Ni  Ni12  1  0.242059  0.774051  0.277929  1
  Ni  Ni13  1  0.741392  0.409470  0.365179  1
  Ni  Ni14  1  0.741722  0.060231  0.409431  1
  Ni  Ni15  1  0.742134  0.579954  0.390001  1
  Ni  Ni16  1  0.742009  0.227342  0.436844  1
  Ni  Ni17  1  0.741825  0.888173  0.431896  1
  Ni  Ni18  1  0.741659  0.233531  0.387965  1
  Ni  Ni19  1  0.242143  0.902949  0.387850  1
  Ni  Ni20  1  0.241820  0.560729  0.434062  1
  Ni  Ni21  1  0.241449  0.736706  0.361548  1
  Ni  Ni22  1  0.241276  0.391659  0.408390  1
  Ni  Ni23  1  0.241814  0.733460  0.411448  1
  Ni  Ni24  1  0.241840  0.077123  0.365700  1
  Ni  Ni25  1  0.741405  0.719269  0.455243  1
  Ni  Ni26  1  0.741556  0.371720  0.500474  1
  Ni  Ni27  1  0.742201  0.886729  0.482052  1
  Ni  Ni28  1  0.741923  0.540970  0.527069  1
  Ni  Ni29  1  0.741704  0.197349  0.523661  1
  Ni  Ni30  1  0.741647  0.541689  0.477002  1
  Ni  Ni31  1  0.241932  0.210627  0.480269  1
  Ni  Ni32  1  0.242083  0.863078  0.525499  1
  Ni  Ni33  1  0.241566  0.041377  0.453674  1
  Ni  Ni34  1  0.241287  0.695618  0.498691  1
  Ni  Ni35  1  0.241841  0.040659  0.503741  1
  Ni  Ni36  1  0.241785  0.384999  0.457082  1
  Ni  Ni37  1  0.741668  0.021618  0.546681  1
  Ni  Ni38  1  0.741345  0.679399  0.592893  1
  Ni  Ni39  1  0.742212  0.190688  0.572353  1
  Ni  Ni40  1  0.742039  0.845641  0.619195  1
  Ni  Ni41  1  0.741648  0.505224  0.615043  1
  Ni  Ni42  1  0.741674  0.848887  0.569295  1
  Ni  Ni43  1  0.241766  0.522117  0.571312  1
  Ni  Ni44  1  0.242096  0.172877  0.615564  1
  Ni  Ni45  1  0.241479  0.355005  0.543899  1
  Ni  Ni46  1  0.241354  1.002393  0.590742  1
  Ni  Ni47  1  0.241829  0.348816  0.592778  1
  Ni  Ni48  1  0.241664  0.694174  0.548847  1
  Ni  Ni49  1  0.741781  0.330233  0.635564  1
  Ni  Ni50  1  0.741996  0.991821  0.684659  1
  Ni  Ni51  1  0.741691  0.499391  0.663709  1
  Ni  Ni52  1  0.742350  0.179399  0.703486  1
  Ni  Ni53  1  0.741429  0.808296  0.702813  1
  Ni  Ni54  1  0.741830  0.156777  0.658319  1
  Ni  Ni55  1  0.241708  0.831065  0.662415  1
  Ni  Ni56  1  0.241476  0.476564  0.706073  1
  Ni  Ni57  1  0.241281  0.661614  0.637230  1
  Ni  Ni58  1  0.241796  0.320977  0.677822  1
  Ni  Ni59  1  0.241810  0.652698  0.686052  1
  Ni  Ni60  1  0.242118  1.001727  0.640278  1
  H  H61  1  0.241781  0.181287  0.283074  1
  H  H62  1  0.241824  0.861289  0.314080  1
  H  H63  1  0.741256  0.479233  0.290078  1
  H  H64  1  0.741784  0.144391  0.339036  1
  H  H65  1  0.241577  0.521431  0.363668  1
  H  H66  1  0.241803  0.175722  0.412469  1
  H  H67  1  0.741759  0.774994  0.386420  1
  H  H68  1  0.741657  0.448649  0.434556  1
  H  H69  1  0.241871  0.849102  0.457139  1
  H  H70  1  0.241731  0.500701  0.502214  1
  H  H71  1  0.741758  0.081646  0.478529  1
  H  H72  1  0.741618  0.733245  0.523604  1
  H  H73  1  0.241831  0.133698  0.546187  1
  H  H74  1  0.241730  0.807353  0.594323  1
  H  H75  1  0.741686  0.406625  0.568274  1
  H  H76  1  0.741911  0.060917  0.617075  1
  H  H77  1  0.241705  0.437956  0.641707  1
  H  H78  1  0.242232  0.103115  0.690664  1
  H  H79  1  0.741664  0.721059  0.666662  1
  H  H80  1  0.741707  0.401060  0.697669  1
