# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84206592
_cell_length_b   6.07706657
_cell_length_c   49.81322312
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   103.92355873
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni54 H18'
_cell_volume   1422.71367888
_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  0.176479  0.896706  0.288943  1
  Ni  Ni2  1  0.335512  0.521455  0.291721  1
  Ni  Ni3  1  0.667509  0.887743  0.289329  1
  Ni  Ni4  1  0.993459  0.196742  0.311396  1
  Ni  Ni5  1  0.852639  0.571945  0.309698  1
  Ni  Ni6  1  0.500409  0.202921  0.314351  1
  Ni  Ni7  1  0.150608  0.883124  0.337236  1
  Ni  Ni8  1  0.298656  0.503400  0.339405  1
  Ni  Ni9  1  0.639664  0.868268  0.336560  1
  Ni  Ni10  1  0.965064  0.178648  0.361535  1
  Ni  Ni11  1  0.820655  0.560351  0.360221  1
  Ni  Ni12  1  0.476908  0.191715  0.363815  1
  Ni  Ni13  1  0.128658  0.873178  0.387483  1
  Ni  Ni14  1  0.273470  0.488986  0.389031  1
  Ni  Ni15  1  0.617350  0.858755  0.386345  1
  Ni  Ni16  1  0.943084  0.167880  0.412167  1
  Ni  Ni17  1  0.798562  0.551227  0.410982  1
  Ni  Ni18  1  0.455326  0.181695  0.413989  1
  Ni  Ni19  1  0.108515  0.863409  0.437853  1
  Ni  Ni20  1  0.253256  0.479712  0.439103  1
  Ni  Ni21  1  0.596610  0.849250  0.436483  1
  Ni  Ni22  1  0.923009  0.158645  0.462554  1
  Ni  Ni23  1  0.778369  0.542227  0.461450  1
  Ni  Ni24  1  0.435136  0.172603  0.464174  1
  Ni  Ni25  1  0.088939  0.854515  0.488202  1
  Ni  Ni26  1  0.233627  0.470875  0.489322  1
  Ni  Ni27  1  0.576900  0.840482  0.486703  1
  Ni  Ni28  1  0.903508  0.149892  0.512899  1
  Ni  Ni29  1  0.758820  0.533532  0.511779  1
  Ni  Ni30  1  0.415547  0.163924  0.514397  1
  Ni  Ni31  1  0.069437  0.845762  0.538547  1
  Ni  Ni32  1  0.214078  0.462180  0.539651  1
  Ni  Ni33  1  0.557311  0.831804  0.536926  1
  Ni  Ni34  1  0.883932  0.140998  0.563248  1
  Ni  Ni35  1  0.739191  0.524695  0.561998  1
  Ni  Ni36  1  0.395836  0.155157  0.564617  1
  Ni  Ni37  1  0.049363  0.836527  0.588934  1
  Ni  Ni38  1  0.193885  0.453180  0.590119  1
  Ni  Ni39  1  0.537120  0.822711  0.587111  1
  Ni  Ni40  1  0.863789  0.131229  0.613618  1
  Ni  Ni41  1  0.718977  0.515421  0.612070  1
  Ni  Ni42  1  0.375097  0.145652  0.614755  1
  Ni  Ni43  1  0.027383  0.825758  0.639565  1
  Ni  Ni44  1  0.171792  0.444056  0.640880  1
  Ni  Ni45  1  0.515538  0.812692  0.637286  1
  Ni  Ni46  1  0.841839  0.121283  0.663865  1
  Ni  Ni47  1  0.693790  0.501007  0.661696  1
  Ni  Ni48  1  0.352782  0.136139  0.664540  1
  Ni  Ni49  1  0.998987  0.807665  0.689705  1
  Ni  Ni50  1  0.139808  0.432462  0.691403  1
  Ni  Ni51  1  0.492037  0.801486  0.686750  1
  Ni  Ni52  1  0.815968  0.107701  0.712158  1
  Ni  Ni53  1  0.656934  0.482952  0.709380  1
  Ni  Ni54  1  0.324938  0.116664  0.711772  1
  H  H55  1  0.324768  0.740899  0.309877  1
  H  H56  1  0.006416  0.405100  0.284695  1
  H  H57  1  0.294188  0.720683  0.362614  1
  H  H58  1  0.827757  0.347069  0.335252  1
  H  H59  1  0.271588  0.708331  0.412876  1
  H  H60  1  0.803845  0.334331  0.386737  1
  H  H61  1  0.251812  0.698772  0.463138  1
  H  H62  1  0.781028  0.324159  0.437292  1
  H  H63  1  0.232020  0.689646  0.513440  1
  H  H64  1  0.760427  0.314761  0.487660  1
  H  H65  1  0.211418  0.680248  0.563809  1
  H  H66  1  0.740635  0.305634  0.537963  1
  H  H67  1  0.188602  0.670076  0.614364  1
  H  H68  1  0.720858  0.296076  0.588225  1
  H  H69  1  0.164690  0.657338  0.665849  1
  H  H70  1  0.698259  0.283724  0.638487  1
  H  H71  1  0.986030  0.599307  0.716406  1
  H  H72  1  0.667679  0.263508  0.691224  1
