# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.48050937
_cell_length_b   16.77866364
_cell_length_c   46.15149246
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.07350146
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni72 H24'
_cell_volume   1920.8065731
_cell_formula_units_Z   24
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  0.255282  0.666368  0.373053  1
  Ni  Ni2  1  0.255855  0.873187  0.300134  1
  Ni  Ni3  1  0.255738  0.269927  0.333805  1
  Ni  Ni4  1  0.255565  0.630354  0.321571  1
  Ni  Ni5  1  0.256347  0.026478  0.355921  1
  Ni  Ni6  1  0.256464  0.418722  0.394084  1
  Ni  Ni7  1  0.255544  0.775498  0.339672  1
  Ni  Ni8  1  0.255498  0.165439  0.373034  1
  Ni  Ni9  1  0.255237  0.381704  0.301137  1
  Ni  Ni10  1  0.756093  0.900076  0.346357  1
  Ni  Ni11  1  0.755896  0.292234  0.381632  1
  Ni  Ni12  1  0.755571  0.506618  0.308963  1
  Ni  Ni13  1  0.755412  0.743680  0.296678  1
  Ni  Ni14  1  0.755624  0.138374  0.327369  1
  Ni  Ni15  1  0.754263  0.537880  0.361471  1
  Ni  Ni16  1  0.756096  0.796643  0.385448  1
  Ni  Ni17  1  0.756342  0.001150  0.308871  1
  Ni  Ni18  1  0.756024  0.398829  0.346179  1
  Ni  Ni19  1  0.256118  0.858901  0.485229  1
  Ni  Ni20  1  0.255794  0.065547  0.410238  1
  Ni  Ni21  1  0.255918  0.461667  0.447772  1
  Ni  Ni22  1  0.256626  0.815325  0.432853  1
  Ni  Ni23  1  0.256894  0.214276  0.468542  1
  Ni  Ni24  1  0.256724  0.610571  0.506392  1
  Ni  Ni25  1  0.255283  0.958106  0.447140  1
  Ni  Ni26  1  0.255348  0.354930  0.484545  1
  Ni  Ni27  1  0.254792  0.559617  0.409761  1
  Ni  Ni28  1  0.755928  0.087540  0.457193  1
  Ni  Ni29  1  0.755895  0.483824  0.494896  1
  Ni  Ni30  1  0.755501  0.688200  0.420527  1
  Ni  Ni31  1  0.754663  0.939135  0.398836  1
  Ni  Ni32  1  0.755065  0.335204  0.436055  1
  Ni  Ni33  1  0.755373  0.730642  0.474469  1
  Ni  Ni34  1  0.756673  0.988514  0.494838  1
  Ni  Ni35  1  0.756613  0.195119  0.420343  1
  Ni  Ni36  1  0.756491  0.590185  0.458036  1
  Ni  Ni37  1  0.256883  0.052266  0.596657  1
  Ni  Ni38  1  0.256489  0.256642  0.522287  1
  Ni  Ni39  1  0.256456  0.652927  0.559991  1
  Ni  Ni40  1  0.257011  0.009824  0.542714  1
  Ni  Ni41  1  0.257319  0.405263  0.581129  1
  Ni  Ni42  1  0.257720  0.801331  0.618347  1
  Ni  Ni43  1  0.255893  0.150281  0.559148  1
  Ni  Ni44  1  0.255770  0.545347  0.596840  1
  Ni  Ni45  1  0.255711  0.751952  0.522346  1
  Ni  Ni46  1  0.756466  0.278800  0.569412  1
  Ni  Ni47  1  0.756590  0.674919  0.606946  1
  Ni  Ni48  1  0.756265  0.881565  0.531954  1
  Ni  Ni49  1  0.755660  0.129895  0.510792  1
  Ni  Ni50  1  0.755489  0.526190  0.548641  1
  Ni  Ni51  1  0.755758  0.925142  0.584330  1
  Ni  Ni52  1  0.757592  0.180849  0.607423  1
  Ni  Ni53  1  0.757035  0.385537  0.532639  1
  Ni  Ni54  1  0.757100  0.782360  0.570043  1
  Ni  Ni55  1  0.256813  0.233848  0.708221  1
  Ni  Ni56  1  0.256488  0.448233  0.635551  1
  Ni  Ni57  1  0.256290  0.840390  0.670826  1
  Ni  Ni58  1  0.258121  0.202587  0.655713  1
  Ni  Ni59  1  0.256760  0.602092  0.689815  1
  Ni  Ni60  1  0.256971  -0.003214  0.720505  1
  Ni  Ni61  1  0.256360  0.341637  0.671004  1
  Ni  Ni62  1  0.256042  0.739316  0.708312  1
  Ni  Ni63  1  0.256287  0.943824  0.631735  1
  Ni  Ni64  1  0.756646  0.470539  0.683378  1
  Ni  Ni65  1  0.756528  0.867279  0.717049  1
  Ni  Ni66  1  0.757101  0.074099  0.644130  1
  Ni  Ni67  1  0.755920  0.321745  0.623099  1
  Ni  Ni68  1  0.756037  0.713989  0.661262  1
  Ni  Ni69  1  0.756819  0.110112  0.695612  1
  Ni  Ni70  1  0.757147  0.358763  0.716046  1
  Ni  Ni71  1  0.756886  0.575028  0.644149  1
  Ni  Ni72  1  0.756840  0.964969  0.677511  1
  H  H73  1  0.755497  0.692617  0.337521  1
  H  H74  1  0.755901  0.069650  0.381073  1
  H  H75  1  0.755137  0.320891  0.309742  1
  H  H76  1  0.255719  0.874085  0.375404  1
  H  H77  1  0.256145  0.072824  0.312953  1
  H  H78  1  0.255485  0.474925  0.332587  1
  H  H79  1  0.756079  0.868610  0.455138  1
  H  H80  1  0.756356  0.260974  0.492554  1
  H  H81  1  0.755845  0.465571  0.418077  1
  H  H82  1  0.256022  0.082350  0.486919  1
  H  H83  1  0.255753  0.290157  0.411604  1
  H  H84  1  0.255714  0.684602  0.450238  1
  H  H85  1  0.756670  0.055864  0.566945  1
  H  H86  1  0.756631  0.450309  0.605579  1
  H  H87  1  0.756362  0.658117  0.530264  1
  H  H88  1  0.256538  0.274895  0.599107  1
  H  H89  1  0.256028  0.479493  0.524630  1
  H  H90  1  0.256305  0.871856  0.562046  1
  H  H91  1  0.756898  0.265542  0.684596  1
  H  H92  1  0.756238  0.667642  0.704230  1
  H  H93  1  0.756665  0.866381  0.641779  1
  H  H94  1  0.257247  0.419576  0.707442  1
  H  H95  1  0.256483  0.670816  0.636111  1
  H  H96  1  0.256886  0.047849  0.679663  1
