# generated using pymatgen
data_Ni2H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39183817
_cell_length_b   8.90329793
_cell_length_c   46.27509439
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.32178750
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2H
_chemical_formula_sum   'Ni64 H32'
_cell_volume   1753.20720819
_cell_formula_units_Z   32
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  0.637606  0.911789  0.280018  1
  Ni  Ni2  1  0.867299  0.389549  0.291980  1
  Ni  Ni3  1  0.399030  0.149231  0.285867  1
  Ni  Ni4  1  0.638341  0.638329  0.297542  1
  Ni  Ni5  1  0.109776  0.878660  0.303292  1
  Ni  Ni6  1  0.351887  0.372918  0.316651  1
  Ni  Ni7  1  0.900629  0.129405  0.310638  1
  Ni  Ni8  1  0.139888  0.618953  0.322328  1
  Ni  Ni9  1  0.594974  0.858863  0.331709  1
  Ni  Ni10  1  0.838935  0.349836  0.344589  1
  Ni  Ni11  1  0.390398  0.107728  0.338125  1
  Ni  Ni12  1  0.633928  0.597689  0.350866  1
  Ni  Ni13  1  0.085564  0.837502  0.358102  1
  Ni  Ni14  1  0.330566  0.328502  0.371616  1
  Ni  Ni15  1  0.880158  0.088025  0.365227  1
  Ni  Ni16  1  0.124466  0.577781  0.378277  1
  Ni  Ni17  1  0.577336  0.816663  0.386350  1
  Ni  Ni18  1  0.822309  0.307072  0.399838  1
  Ni  Ni19  1  0.368783  0.066929  0.393295  1
  Ni  Ni20  1  0.614165  0.556197  0.406685  1
  Ni  Ni21  1  0.068052  0.796176  0.413896  1
  Ni  Ni22  1  0.313001  0.286365  0.427561  1
  Ni  Ni23  1  0.859300  0.045754  0.420949  1
  Ni  Ni24  1  0.104982  0.535560  0.434448  1
  Ni  Ni25  1  0.558649  0.775339  0.441913  1
  Ni  Ni26  1  0.803980  0.265235  0.455536  1
  Ni  Ni27  1  0.349923  0.024972  0.448884  1
  Ni  Ni28  1  0.595659  0.514583  0.462513  1
  Ni  Ni29  1  0.049336  0.754601  0.469643  1
  Ni  Ni30  1  0.294805  0.244420  0.483331  1
  Ni  Ni31  1  0.840812  1.004054  0.476656  1
  Ni  Ni32  1  0.086443  0.493817  0.490293  1
  Ni  Ni33  1  0.540025  0.733737  0.497604  1
  Ni  Ni34  1  0.785656  0.223501  0.511241  1
  Ni  Ni35  1  0.331663  0.983135  0.504567  1
  Ni  Ni36  1  0.577132  0.472954  0.518254  1
  Ni  Ni37  1  0.030809  0.712971  0.525384  1
  Ni  Ni38  1  0.276545  0.202583  0.539013  1
  Ni  Ni39  1  0.822488  0.962319  0.532361  1
  Ni  Ni40  1  0.067819  0.452216  0.545984  1
  Ni  Ni41  1  0.521486  0.691995  0.553450  1
  Ni  Ni42  1  0.767168  0.181801  0.566948  1
  Ni  Ni43  1  0.313467  0.941190  0.560336  1
  Ni  Ni44  1  0.558416  0.431378  0.574001  1
  Ni  Ni45  1  0.012303  0.671357  0.581213  1
  Ni  Ni46  1  0.257685  0.160626  0.594602  1
  Ni  Ni47  1  0.804159  0.920483  0.588059  1
  Ni  Ni48  1  0.049132  0.410891  0.601547  1
  Ni  Ni49  1  0.502002  0.649773  0.609621  1
  Ni  Ni50  1  0.746309  0.139529  0.622670  1
  Ni  Ni51  1  0.295902  0.899053  0.616281  1
  Ni  Ni52  1  0.540904  0.390053  0.629795  1
  Ni  Ni53  1  0.992540  0.629865  0.637031  1
  Ni  Ni54  1  0.236070  0.119826  0.649772  1
  Ni  Ni55  1  0.787533  0.877718  0.643308  1
  Ni  Ni56  1  0.031494  0.368692  0.656188  1
  Ni  Ni57  1  0.486580  0.608601  0.665569  1
  Ni  Ni58  1  0.725839  0.098149  0.677259  1
  Ni  Ni59  1  0.274581  0.854636  0.671246  1
  Ni  Ni60  1  0.516692  0.348894  0.684605  1
  Ni  Ni61  1  0.988127  0.589226  0.690356  1
  Ni  Ni62  1  0.227438  0.078323  0.702030  1
  Ni  Ni63  1  0.759168  0.838006  0.695917  1
  Ni  Ni64  1  0.988862  0.315765  0.707880  1
  H  H65  1  0.014692  0.022892  0.278159  1
  H  H66  1  0.250850  0.511880  0.290445  1
  H  H67  1  0.498180  0.007083  0.303722  1
  H  H68  1  0.746474  0.498435  0.316070  1
  H  H69  1  0.993030  0.981814  0.333462  1
  H  H70  1  0.236045  0.476387  0.346717  1
  H  H71  1  0.482488  0.963182  0.362327  1
  H  H72  1  0.726749  0.453624  0.375467  1
  H  H73  1  0.973217  0.941751  0.389619  1
  H  H74  1  0.217897  0.432440  0.403025  1
  H  H75  1  0.463525  0.920936  0.417642  1
  H  H76  1  0.708821  0.410984  0.431140  1
  H  H77  1  0.954388  0.900042  0.445304  1
  H  H78  1  0.199757  0.390196  0.458903  1
  H  H79  1  0.445050  0.879239  0.473247  1
  H  H80  1  0.690557  0.369150  0.486871  1
  H  H81  1  0.935911  0.858404  0.501026  1
  H  H82  1  0.181418  0.348315  0.514650  1
  H  H83  1  0.426710  0.837359  0.528994  1
  H  H84  1  0.672079  0.327513  0.542593  1
  H  H85  1  0.917647  0.816571  0.556757  1
  H  H86  1  0.162943  0.306618  0.570255  1
  H  H87  1  0.408571  0.795114  0.584872  1
  H  H88  1  0.653251  0.285804  0.598279  1
  H  H89  1  0.899719  0.773931  0.612430  1
  H  H90  1  0.143979  0.264372  0.625571  1
  H  H91  1  0.390423  0.751168  0.641180  1
  H  H92  1  0.633438  0.245741  0.654435  1
  H  H93  1  0.879993  0.729119  0.671827  1
  H  H94  1  0.128288  0.220472  0.684175  1
  H  H95  1  0.375618  0.715674  0.697452  1
  H  H96  1  0.611776  0.204662  0.709738  1
