# generated using pymatgen
data_Ni2H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72477505
_cell_length_b   4.94605809
_cell_length_c   48.56088849
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.55293250
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2H
_chemical_formula_sum   'Ni60 H30'
_cell_volume   1607.61021021
_cell_formula_units_Z   30
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  0.560311  0.053410  0.294921  1
  Ni  Ni2  1  0.917761  0.974536  0.310407  1
  Ni  Ni3  1  0.204010  0.127808  0.282911  1
  Ni  Ni4  1  0.458387  0.536152  0.296986  1
  Ni  Ni5  1  0.776203  0.714747  0.272032  1
  Ni  Ni6  1  0.116465  0.624525  0.284872  1
  Ni  Ni7  1  0.623816  0.799683  0.339110  1
  Ni  Ni8  1  0.975592  0.717748  0.354607  1
  Ni  Ni9  1  0.273823  0.883040  0.325013  1
  Ni  Ni10  1  0.513383  0.277254  0.341936  1
  Ni  Ni11  1  0.810226  0.439447  0.312468  1
  Ni  Ni12  1  0.163531  0.361602  0.327962  1
  Ni  Ni13  1  0.680023  0.550085  0.385175  1
  Ni  Ni14  1  0.032342  0.465789  0.400593  1
  Ni  Ni15  1  0.328796  0.633256  0.370113  1
  Ni  Ni16  1  0.570451  0.026404  0.387534  1
  Ni  Ni17  1  0.865503  0.193769  0.357778  1
  Ni  Ni18  1  0.218553  0.109356  0.372623  1
  Ni  Ni19  1  0.736447  0.297074  0.430949  1
  Ni  Ni20  1  0.088809  0.212961  0.446158  1
  Ni  Ni21  1  0.384615  0.380739  0.415701  1
  Ni  Ni22  1  0.627260  0.774688  0.433270  1
  Ni  Ni23  1  0.922891  0.942223  0.402946  1
  Ni  Ni24  1  0.275262  0.858466  0.418139  1
  Ni  Ni25  1  0.793220  0.044984  0.476573  1
  Ni  Ni26  1  0.145505  0.960892  0.491762  1
  Ni  Ni27  1  0.441045  0.128825  0.461351  1
  Ni  Ni28  1  0.683878  0.522614  0.478901  1
  Ni  Ni29  1  0.979445  0.690632  0.448553  1
  Ni  Ni30  1  0.331755  0.606413  0.463682  1
  Ni  Ni31  1  0.849875  0.792990  0.522174  1
  Ni  Ni32  1  0.202184  0.708771  0.537304  1
  Ni  Ni33  1  0.497752  0.876789  0.506956  1
  Ni  Ni34  1  0.740585  0.270578  0.524506  1
  Ni  Ni35  1  0.036125  0.438511  0.494095  1
  Ni  Ni36  1  0.388409  0.354419  0.509283  1
  Ni  Ni37  1  0.906367  0.540937  0.567717  1
  Ni  Ni38  1  0.258739  0.457180  0.582910  1
  Ni  Ni39  1  0.554369  0.624714  0.552586  1
  Ni  Ni40  1  0.797014  0.018664  0.570156  1
  Ni  Ni41  1  0.092820  0.186442  0.539698  1
  Ni  Ni42  1  0.445182  0.102329  0.554908  1
  Ni  Ni43  1  0.963077  0.290047  0.613233  1
  Ni  Ni44  1  0.316127  0.205634  0.628079  1
  Ni  Ni45  1  0.611179  0.372999  0.598322  1
  Ni  Ni46  1  0.852833  0.766147  0.615744  1
  Ni  Ni47  1  0.149288  0.933614  0.585263  1
  Ni  Ni48  1  0.501606  0.849318  0.600681  1
  Ni  Ni49  1  0.018099  0.037801  0.657895  1
  Ni  Ni50  1  0.371403  0.959956  0.673388  1
  Ni  Ni51  1  0.668247  0.122149  0.643921  1
  Ni  Ni52  1  0.907806  0.516363  0.660843  1
  Ni  Ni53  1  0.206038  0.681655  0.631249  1
  Ni  Ni54  1  0.557813  0.599720  0.646747  1
  Ni  Ni55  1  0.065164  0.774877  0.700985  1
  Ni  Ni56  1  0.405426  0.684656  0.713825  1
  Ni  Ni57  1  0.723243  0.863251  0.688870  1
  Ni  Ni58  1  0.977620  0.271594  0.702945  1
  Ni  Ni59  1  0.263869  0.424867  0.675449  1
  Ni  Ni60  1  0.621319  0.345993  0.690935  1
  H  H61  1  0.337010  0.848365  0.284896  1
  H  H62  1  0.681664  0.758443  0.300944  1
  H  H63  1  0.995874  0.893934  0.272185  1
  H  H64  1  0.394152  0.580375  0.332737  1
  H  H65  1  0.744431  0.497779  0.348487  1
  H  H66  1  0.038919  0.662884  0.317541  1
  H  H67  1  0.449322  0.329996  0.378878  1
  H  H68  1  0.800828  0.246956  0.394364  1
  H  H69  1  0.096643  0.416392  0.364201  1
  H  H70  1  0.505851  0.077533  0.424472  1
  H  H71  1  0.857956  0.993792  0.439765  1
  H  H72  1  0.153536  0.161893  0.409413  1
  H  H73  1  0.562493  0.825691  0.470111  1
  H  H74  1  0.914639  0.741843  0.485360  1
  H  H75  1  0.210275  0.909755  0.454945  1
  H  H76  1  0.619136  0.573712  0.515746  1
  H  H77  1  0.971355  0.489648  0.530912  1
  H  H78  1  0.266991  0.657560  0.500497  1
  H  H79  1  0.675778  0.321870  0.561385  1
  H  H80  1  0.028093  0.237510  0.576443  1
  H  H81  1  0.323673  0.405611  0.546092  1
  H  H82  1  0.732308  0.069407  0.606979  1
  H  H83  1  0.084986  0.983011  0.621656  1
  H  H84  1  0.380802  0.152447  0.591493  1
  H  H85  1  0.787477  0.819028  0.653120  1
  H  H86  1  0.142710  0.736519  0.668316  1
  H  H87  1  0.437198  0.901624  0.637369  1
  H  H88  1  0.844619  0.551038  0.700961  1
  H  H89  1  0.185755  0.505469  0.713672  1
  H  H90  1  0.499966  0.640960  0.684912  1
