# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01707367
_cell_length_b   5.45411921
_cell_length_c   48.73157181
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.34568737
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni60 H20'
_cell_volume   1562.28241521
_cell_formula_units_Z   20
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  0.856247  0.436263  0.296866  1
  Ni  Ni2  1  0.238143  0.322577  0.293953  1
  Ni  Ni3  1  0.885126  0.029808  0.281008  1
  Ni  Ni4  1  0.562015  0.667642  0.286353  1
  Ni  Ni5  1  0.179036  0.804017  0.293320  1
  Ni  Ni6  1  0.537140  0.064924  0.305987  1
  Ni  Ni7  1  0.818495  0.215522  0.342980  1
  Ni  Ni8  1  0.202206  0.092274  0.337651  1
  Ni  Ni9  1  0.843022  0.819554  0.323772  1
  Ni  Ni10  1  0.525763  0.454290  0.330209  1
  Ni  Ni11  1  0.138910  0.571496  0.335704  1
  Ni  Ni12  1  0.495372  0.842056  0.351146  1
  Ni  Ni13  1  0.779347  0.998901  0.389405  1
  Ni  Ni14  1  0.167883  0.877482  0.383610  1
  Ni  Ni15  1  0.808752  0.610692  0.368074  1
  Ni  Ni16  1  0.489587  0.240268  0.375221  1
  Ni  Ni17  1  0.103001  0.357489  0.380918  1
  Ni  Ni18  1  0.460432  0.625665  0.397746  1
  Ni  Ni19  1  0.745581  0.786860  0.435603  1
  Ni  Ni20  1  0.132783  0.666815  0.429865  1
  Ni  Ni21  1  0.774653  0.401811  0.413253  1
  Ni  Ni22  1  0.454796  0.029990  0.421021  1
  Ni  Ni23  1  0.068361  0.147701  0.426601  1
  Ni  Ni24  1  0.425815  0.413412  0.443889  1
  Ni  Ni25  1  0.712320  0.576384  0.481634  1
  Ni  Ni26  1  0.099049  0.456902  0.475989  1
  Ni  Ni27  1  0.741284  0.192825  0.458835  1
  Ni  Ni28  1  0.421436  0.819989  0.466921  1
  Ni  Ni29  1  0.034955  0.938969  0.472531  1
  Ni  Ni30  1  0.392551  0.203114  0.489868  1
  Ni  Ni31  1  0.679280  0.366477  0.527611  1
  Ni  Ni32  1  0.065761  0.247497  0.522001  1
  Ni  Ni33  1  0.708165  0.983352  0.504664  1
  Ni  Ni34  1  0.388396  0.610082  0.512898  1
  Ni  Ni35  1  1.001667  0.729564  0.518543  1
  Ni  Ni36  1  0.359432  0.993641  0.535697  1
  Ni  Ni37  1  0.645920  0.156476  0.573510  1
  Ni  Ni38  1  0.032355  0.038765  0.567931  1
  Ni  Ni39  1  0.674901  0.773054  0.550643  1
  Ni  Ni40  1  0.355135  0.399606  0.558928  1
  Ni  Ni41  1  0.967933  0.519651  0.564667  1
  Ni  Ni42  1  0.326063  0.784655  0.581279  1
  Ni  Ni43  1  0.611129  0.946198  0.619310  1
  Ni  Ni44  1  0.997715  0.828977  0.613614  1
  Ni  Ni45  1  0.640284  0.560801  0.596786  1
  Ni  Ni46  1  0.321369  0.187565  0.605126  1
  Ni  Ni47  1  0.932833  0.308984  0.610921  1
  Ni  Ni48  1  0.291964  0.575774  0.626457  1
  Ni  Ni49  1  0.574953  0.732176  0.664323  1
  Ni  Ni50  1  0.961806  0.614970  0.658828  1
  Ni  Ni51  1  0.605344  0.344410  0.643386  1
  Ni  Ni52  1  0.282221  0.970944  0.651552  1
  Ni  Ni53  1  0.898510  0.094192  0.656881  1
  Ni  Ni54  1  0.257694  0.366912  0.670760  1
  Ni  Ni55  1  0.538701  0.518824  0.708179  1
  Ni  Ni56  1  0.921680  0.382449  0.701212  1
  Ni  Ni57  1  0.563576  0.121542  0.688545  1
  Ni  Ni58  1  0.244469  0.750203  0.697666  1
  Ni  Ni59  1  0.862573  0.863889  0.700579  1
  Ni  Ni60  1  0.215590  0.156658  0.713524  1
  H  H61  1  0.010706  0.300116  0.267260  1
  H  H62  1  0.377404  0.682273  0.310623  1
  H  H63  1  0.994362  0.192767  0.312377  1
  H  H64  1  0.349929  0.487795  0.360021  1
  H  H65  1  0.962083  0.982846  0.360132  1
  H  H66  1  0.313182  0.269425  0.405564  1
  H  H67  1  0.925962  0.765620  0.405721  1
  H  H68  1  0.278049  0.057094  0.451331  1
  H  H69  1  0.890701  0.551887  0.451483  1
  H  H70  1  0.244147  0.846004  0.497187  1
  H  H71  1  0.856569  0.340462  0.497345  1
  H  H72  1  0.210015  0.634579  0.543049  1
  H  H73  1  0.822667  0.129372  0.543201  1
  H  H74  1  0.174754  0.420846  0.588811  1
  H  H75  1  0.787534  0.917041  0.588967  1
  H  H76  1  0.138633  0.203620  0.634400  1
  H  H77  1  0.750787  0.698671  0.634511  1
  H  H78  1  0.106354  0.993699  0.682155  1
  H  H79  1  0.723312  0.504193  0.683909  1
  H  H80  1  0.090010  0.886350  0.727272  1
