# generated using pymatgen
data_Ni2H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26946006
_cell_length_b   9.13363396
_cell_length_c   46.81465662
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2H
_chemical_formula_sum   'Ni66 H33'
_cell_volume   1825.56962006
_cell_formula_units_Z   33
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  0.767212  0.074183  0.286275  1
  Ni  Ni2  1  0.769773  0.614495  0.306659  1
  Ni  Ni3  1  0.773782  0.340394  0.296770  1
  Ni  Ni4  1  0.271756  0.036321  0.311517  1
  Ni  Ni5  1  0.274879  0.767355  0.300146  1
  Ni  Ni6  1  0.264408  0.494666  0.289464  1
  Ni  Ni7  1  0.775691  0.879126  0.320733  1
  Ni  Ni8  1  0.774202  0.421943  0.346769  1
  Ni  Ni9  1  0.774231  0.151620  0.335280  1
  Ni  Ni10  1  0.264566  0.842582  0.351476  1
  Ni  Ni11  1  0.265126  0.572572  0.338906  1
  Ni  Ni12  1  0.270557  0.298218  0.324552  1
  Ni  Ni13  1  0.772277  0.688289  0.359841  1
  Ni  Ni14  1  0.770132  0.227744  0.387329  1
  Ni  Ni15  1  0.771407  0.956702  0.373528  1
  Ni  Ni16  1  0.259658  0.650459  0.391573  1
  Ni  Ni17  1  0.260874  0.379881  0.377774  1
  Ni  Ni18  1  0.263231  0.110153  0.364749  1
  Ni  Ni19  1  0.768709  0.496468  0.400426  1
  Ni  Ni20  1  0.766621  0.034511  0.427100  1
  Ni  Ni21  1  0.767434  0.765306  0.413671  1
  Ni  Ni22  1  0.256291  0.457731  0.431529  1
  Ni  Ni23  1  0.258140  0.188533  0.418187  1
  Ni  Ni24  1  0.259194  0.919372  0.404865  1
  Ni  Ni25  1  0.765082  0.303954  0.440646  1
  Ni  Ni26  1  0.762410  0.842343  0.467256  1
  Ni  Ni27  1  0.763642  0.573171  0.453948  1
  Ni  Ni28  1  0.252847  0.265464  0.471728  1
  Ni  Ni29  1  0.254081  0.996367  0.458347  1
  Ni  Ni30  1  0.254996  0.727122  0.445028  1
  Ni  Ni31  1  0.761312  0.111422  0.480655  1
  Ni  Ni32  1  0.758675  0.650042  0.507435  1
  Ni  Ni33  1  0.760032  0.380698  0.494061  1
  Ni  Ni34  1  0.248820  0.073229  0.511875  1
  Ni  Ni35  1  0.250027  0.803970  0.498467  1
  Ni  Ni36  1  0.251357  0.534625  0.485092  1
  Ni  Ni37  1  0.757241  0.919187  0.520799  1
  Ni  Ni38  1  0.755050  0.457550  0.547499  1
  Ni  Ni39  1  0.756069  0.188276  0.534176  1
  Ni  Ni40  1  0.244985  0.880719  0.551888  1
  Ni  Ni41  1  0.246365  0.611503  0.538581  1
  Ni  Ni42  1  0.247676  0.342306  0.525265  1
  Ni  Ni43  1  0.753691  0.726934  0.560999  1
  Ni  Ni44  1  0.751044  0.265256  0.587646  1
  Ni  Ni45  1  0.752026  0.996113  0.574345  1
  Ni  Ni46  1  0.241165  0.688241  0.592112  1
  Ni  Ni47  1  0.242644  0.419315  0.578838  1
  Ni  Ni48  1  0.243575  0.150140  0.565438  1
  Ni  Ni49  1  0.750283  0.534236  0.600952  1
  Ni  Ni50  1  0.747223  0.074533  0.627785  1
  Ni  Ni51  1  0.749152  0.804800  0.614754  1
  Ni  Ni52  1  0.237446  0.496228  0.632607  1
  Ni  Ni53  1  0.238975  0.227918  0.619038  1
  Ni  Ni54  1  0.240082  0.956985  0.605216  1
  Ni  Ni55  1  0.745925  0.342102  0.640980  1
  Ni  Ni56  1  0.739890  0.886489  0.667931  1
  Ni  Ni57  1  0.743040  0.612239  0.653559  1
  Ni  Ni58  1  0.236183  0.305715  0.671847  1
  Ni  Ni59  1  0.236485  0.033102  0.657303  1
  Ni  Ni60  1  0.235548  0.763033  0.645763  1
  Ni  Ni61  1  0.739902  0.148320  0.681026  1
  Ni  Ni62  1  0.748772  0.691360  0.702790  1
  Ni  Ni63  1  0.737989  0.416700  0.691930  1
  Ni  Ni64  1  0.244773  0.110706  0.706283  1
  Ni  Ni65  1  0.238001  0.844047  0.695822  1
  Ni  Ni66  1  0.235582  0.570718  0.685243  1
  H  H67  1  0.528683  0.191942  0.298753  1
  H  H68  1  0.523097  0.925775  0.288636  1
  H  H69  1  0.436378  0.645095  0.276565  1
  H  H70  1  0.516966  0.996742  0.341707  1
  H  H71  1  0.519989  0.726810  0.327560  1
  H  H72  1  0.529858  0.455853  0.313249  1
  H  H73  1  0.516443  0.803523  0.382425  1
  H  H74  1  0.518574  0.535088  0.369367  1
  H  H75  1  0.516041  0.267324  0.355822  1
  H  H76  1  0.511923  0.611763  0.422754  1
  H  H77  1  0.512061  0.342772  0.409345  1
  H  H78  1  0.515911  0.072941  0.395871  1
  H  H79  1  0.507847  0.419359  0.462821  1
  H  H80  1  0.509783  0.149994  0.449415  1
  H  H81  1  0.511018  0.880759  0.436039  1
  H  H82  1  0.504499  0.226905  0.502952  1
  H  H83  1  0.505612  0.957744  0.489575  1
  H  H84  1  0.506956  0.688558  0.476220  1
  H  H85  1  0.500354  0.034661  0.543117  1
  H  H86  1  0.502172  0.765314  0.529707  1
  H  H87  1  0.503067  0.496114  0.516307  1
  H  H88  1  0.497941  0.841926  0.583186  1
  H  H89  1  0.497999  0.572918  0.569767  1
  H  H90  1  0.499116  0.303874  0.556481  1
  H  H91  1  0.490585  0.649583  0.623122  1
  H  H92  1  0.493672  0.381087  0.610091  1
  H  H93  1  0.494369  0.111708  0.596674  1
  H  H94  1  0.490767  0.458518  0.665414  1
  H  H95  1  0.493968  0.188004  0.650854  1
  H  H96  1  0.494125  0.917226  0.636755  1
  H  H97  1  0.489892  0.259580  0.703931  1
  H  H98  1  0.482529  0.992671  0.693783  1
  H  H99  1  0.479541  0.726562  0.679919  1
