# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84133883
_cell_length_b   6.50039117
_cell_length_c   46.15573558
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.85363434
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni54 H18'
_cell_volume   1416.14988217
_cell_formula_units_Z   18
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  0.457416  0.940232  0.276716  1
  Ni  Ni2  1  0.645177  0.514216  0.299732  1
  Ni  Ni3  1  0.928793  0.874125  0.286177  1
  Ni  Ni4  1  0.316383  0.137560  0.315785  1
  Ni  Ni5  1  0.180567  0.587381  0.290622  1
  Ni  Ni6  1  0.854251  0.206112  0.305685  1
  Ni  Ni7  1  0.536504  0.833906  0.323713  1
  Ni  Ni8  1  0.690365  0.374921  0.350294  1
  Ni  Ni9  1  0.007674  0.761975  0.333642  1
  Ni  Ni10  1  0.362210  1.001328  0.367289  1
  Ni  Ni11  1  0.219571  0.459333  0.338410  1
  Ni  Ni12  1  0.895820  0.070232  0.356519  1
  Ni  Ni13  1  0.575780  0.701189  0.373220  1
  Ni  Ni14  1  0.721866  0.238086  0.401932  1
  Ni  Ni15  1  0.044070  0.633723  0.383302  1
  Ni  Ni16  1  0.396419  0.867099  0.418649  1
  Ni  Ni17  1  0.252100  0.329050  0.389231  1
  Ni  Ni18  1  0.927331  0.931095  0.408659  1
  Ni  Ni19  1  0.605866  0.566762  0.424187  1
  Ni  Ni20  1  0.751593  0.103590  0.453505  1
  Ni  Ni21  1  0.075467  0.503999  0.433854  1
  Ni  Ni22  1  0.426824  0.734028  0.469915  1
  Ni  Ni23  1  0.281581  0.196576  0.440352  1
  Ni  Ni24  1  0.956644  0.795367  0.460304  1
  Ni  Ni25  1  0.635032  0.433112  0.475302  1
  Ni  Ni26  1  0.780729  0.970149  0.504849  1
  Ni  Ni27  1  0.105367  0.372186  0.484811  1
  Ni  Ni28  1  0.456216  0.600829  0.521103  1
  Ni  Ni29  1  0.310518  0.063792  0.491556  1
  Ni  Ni30  1  0.985881  0.661755  0.511595  1
  Ni  Ni31  1  0.664424  0.299913  0.526490  1
  Ni  Ni32  1  0.809666  0.837365  0.556054  1
  Ni  Ni33  1  0.134603  0.238574  0.536101  1
  Ni  Ni34  1  0.485381  0.467179  0.572218  1
  Ni  Ni35  1  0.339655  0.930351  0.542900  1
  Ni  Ni36  1  0.015781  0.529942  0.562551  1
  Ni  Ni37  1  0.694829  0.166842  0.577756  1
  Ni  Ni38  1  0.839148  0.704891  0.607174  1
  Ni  Ni39  1  0.163916  0.102846  0.587747  1
  Ni  Ni40  1  0.515468  0.332752  0.623186  1
  Ni  Ni41  1  0.369381  0.795855  0.594474  1
  Ni  Ni42  1  0.047178  0.400218  0.613103  1
  Ni  Ni43  1  0.729037  0.032613  0.629116  1
  Ni  Ni44  1  0.871676  0.574608  0.657995  1
  Ni  Ni45  1  0.195428  0.963709  0.639887  1
  Ni  Ni46  1  0.554743  0.200035  0.672693  1
  Ni  Ni47  1  0.400883  0.659020  0.646111  1
  Ni  Ni48  1  0.083573  0.271966  0.662764  1
  Ni  Ni49  1  0.774865  0.896381  0.680620  1
  Ni  Ni50  1  0.910680  0.446560  0.705783  1
  Ni  Ni51  1  0.236996  0.827829  0.690720  1
  Ni  Ni52  1  0.633831  0.093709  0.719689  1
  Ni  Ni53  1  0.446070  0.519725  0.696673  1
  Ni  Ni54  1  0.162454  0.159816  0.710228  1
  H  H55  1  0.558007  0.724480  0.281654  1
  H  H56  1  0.245480  0.359541  0.297938  1
  H  H57  1  0.615733  0.599150  0.335185  1
  H  H58  1  0.289355  0.229731  0.352187  1
  H  H59  1  0.653894  0.469775  0.387268  1
  H  H60  1  0.317457  0.096481  0.403930  1
  H  H61  1  0.686174  0.336205  0.438572  1
  H  H62  1  0.346148  0.963313  0.455212  1
  H  H63  1  0.716099  0.203371  0.489897  1
  H  H64  1  0.375148  0.830570  0.506508  1
  H  H65  1  0.745100  0.070628  0.541193  1
  H  H66  1  0.405073  0.697736  0.557834  1
  H  H67  1  0.773791  0.937460  0.592475  1
  H  H68  1  0.437354  0.564166  0.609137  1
  H  H69  1  0.801892  0.804210  0.644218  1
  H  H70  1  0.475515  0.434791  0.661220  1
  H  H71  1  0.845767  0.674400  0.698467  1
  H  H72  1  0.533241  0.309461  0.714751  1
