# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.47968963
_cell_length_b   18.56560501
_cell_length_c   50.99661008
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.05471106
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni90 H30'
_cell_volume   2347.72671596
_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  0.743007  0.587236  0.287909  1
  Ni  Ni2  1  0.742866  0.311147  0.347109  1
  Ni  Ni3  1  0.743022  0.948052  0.315996  1
  Ni  Ni4  1  0.742390  0.763728  0.340108  1
  Ni  Ni5  1  0.742117  0.406949  0.313896  1
  Ni  Ni6  1  0.742645  0.050277  0.287858  1
  Ni  Ni7  1  0.743118  0.632383  0.333659  1
  Ni  Ni8  1  0.743464  0.276415  0.301899  1
  Ni  Ni9  1  0.742867  0.990083  0.362533  1
  Ni  Ni10  1  0.242574  0.877355  0.351125  1
  Ni  Ni11  1  0.242661  0.520722  0.322543  1
  Ni  Ni12  1  0.243301  0.162578  0.291025  1
  Ni  Ni13  1  0.243287  0.702076  0.300431  1
  Ni  Ni14  1  0.243181  0.426076  0.359319  1
  Ni  Ni15  1  0.243065  0.066158  0.329721  1
  Ni  Ni16  1  0.242673  0.833802  0.305415  1
  Ni  Ni17  1  0.242469  0.474597  0.279093  1
  Ni  Ni18  1  0.242312  0.197752  0.335457  1
  Ni  Ni19  1  0.742906  0.673303  0.378443  1
  Ni  Ni20  1  0.743066  0.399219  0.439339  1
  Ni  Ni21  1  0.742883  0.036934  0.407365  1
  Ni  Ni22  1  0.741587  0.849077  0.432491  1
  Ni  Ni23  1  0.741943  0.485975  0.402617  1
  Ni  Ni24  1  0.742190  0.125426  0.370569  1
  Ni  Ni25  1  0.743332  0.717905  0.423938  1
  Ni  Ni26  1  0.742950  0.353468  0.393596  1
  Ni  Ni27  1  0.743155  0.079694  0.453792  1
  Ni  Ni28  1  0.242402  0.965326  0.442872  1
  Ni  Ni29  1  0.242565  0.602191  0.413370  1
  Ni  Ni30  1  0.242501  0.239937  0.381852  1
  Ni  Ni31  1  0.243745  0.788677  0.387954  1
  Ni  Ni32  1  0.243713  0.515614  0.450359  1
  Ni  Ni33  1  0.243610  0.152560  0.418938  1
  Ni  Ni34  1  0.242210  0.919988  0.397370  1
  Ni  Ni35  1  0.242337  0.557538  0.367753  1
  Ni  Ni36  1  0.242362  0.284144  0.428094  1
  Ni  Ni37  1  0.743407  0.763115  0.469840  1
  Ni  Ni38  1  0.743655  0.489363  0.530643  1
  Ni  Ni39  1  0.743313  0.125341  0.499839  1
  Ni  Ni40  1  0.742178  0.937841  0.524182  1
  Ni  Ni41  1  0.742275  0.575657  0.493655  1
  Ni  Ni42  1  0.741861  0.211519  0.462809  1
  Ni  Ni43  1  0.743669  0.806278  0.515834  1
  Ni  Ni44  1  0.743351  0.443046  0.485066  1
  Ni  Ni45  1  0.743521  0.168507  0.545879  1
  Ni  Ni46  1  0.242848  0.053729  0.534878  1
  Ni  Ni47  1  0.242941  0.691503  0.504879  1
  Ni  Ni48  1  0.242600  0.327481  0.474075  1
  Ni  Ni49  1  0.244077  0.879003  0.480536  1
  Ni  Ni50  1  0.244394  0.605325  0.541909  1
  Ni  Ni51  1  0.243980  0.241187  0.511063  1
  Ni  Ni52  1  0.242585  0.010566  0.488884  1
  Ni  Ni53  1  0.242733  0.648336  0.458839  1
  Ni  Ni54  1  0.242903  0.373798  0.519652  1
  Ni  Ni55  1  0.743853  0.851518  0.561846  1
  Ni  Ni56  1  0.743753  0.576907  0.622866  1
  Ni  Ni57  1  0.743689  0.214653  0.591348  1
  Ni  Ni58  1  0.742510  0.028167  0.616764  1
  Ni  Ni59  1  0.742644  0.664284  0.585780  1
  Ni  Ni60  1  0.742542  0.301229  0.554359  1
  Ni  Ni61  1  0.744044  0.896856  0.607348  1
  Ni  Ni62  1  0.743892  0.532700  0.576624  1
  Ni  Ni63  1  0.743917  0.259306  0.636965  1
  Ni  Ni64  1  0.243349  0.143541  0.626275  1
  Ni  Ni65  1  0.243372  0.779910  0.597353  1
  Ni  Ni66  1  0.243189  0.417625  0.565379  1
  Ni  Ni67  1  0.244668  0.967767  0.572227  1
  Ni  Ni68  1  0.244065  0.691418  0.634149  1
  Ni  Ni69  1  0.244312  0.330868  0.602101  1
  Ni  Ni70  1  0.242922  0.098939  0.580780  1
  Ni  Ni71  1  0.243099  0.737150  0.550926  1
  Ni  Ni72  1  0.243304  0.463376  0.611122  1
  Ni  Ni73  1  0.743680  0.939489  0.653593  1
  Ni  Ni74  1  0.742954  0.654266  0.713693  1
  Ni  Ni75  1  0.743594  0.296121  0.682175  1
  Ni  Ni76  1  0.742968  0.114768  0.704287  1
  Ni  Ni77  1  0.743189  0.750685  0.674997  1
  Ni  Ni78  1  0.743074  0.390768  0.645399  1
  Ni  Ni79  1  0.743581  0.983042  0.699303  1
  Ni  Ni80  1  0.743943  0.619092  0.669261  1
  Ni  Ni81  1  0.743786  0.342247  0.725625  1
  Ni  Ni82  1  0.243248  0.229608  0.716809  1
  Ni  Ni83  1  0.243232  0.868792  0.688722  1
  Ni  Ni84  1  0.243389  0.505697  0.657609  1
  Ni  Ni85  1  0.243865  0.053116  0.664610  1
  Ni  Ni86  1  0.243610  0.766567  0.716860  1
  Ni  Ni87  1  0.244138  0.409894  0.690822  1
  Ni  Ni88  1  0.243136  0.184461  0.671059  1
  Ni  Ni89  1  0.243388  0.826761  0.642185  1
  Ni  Ni90  1  0.242791  0.540429  0.702819  1
  H  H91  1  0.242784  0.701130  0.354030  1
  H  H92  1  0.242884  0.331971  0.315154  1
  H  H93  1  0.242565  0.995662  0.295362  1
  H  H94  1  0.742884  0.771376  0.298425  1
  H  H95  1  0.742772  0.490761  0.347320  1
  H  H96  1  0.742986  0.130514  0.312588  1
  H  H97  1  0.242876  0.771808  0.442736  1
  H  H98  1  0.242718  0.407833  0.412390  1
  H  H99  1  0.242623  0.053950  0.376718  1
  H  H100  1  0.742751  0.866947  0.378275  1
  H  H101  1  0.742955  0.592294  0.440511  1
  H  H102  1  0.742742  0.231035  0.408947  1
  H  H103  1  0.243329  0.860125  0.534731  1
  H  H104  1  0.243160  0.498422  0.503580  1
  H  H105  1  0.242860  0.133187  0.472806  1
  H  H106  1  0.742926  0.956719  0.469987  1
  H  H107  1  0.743394  0.683657  0.531912  1
  H  H108  1  0.743094  0.318422  0.501138  1
  H  H109  1  0.243503  0.949897  0.626443  1
  H  H110  1  0.243512  0.585809  0.595771  1
  H  H111  1  0.243300  0.224550  0.564207  1
  H  H112  1  0.743379  0.045036  0.561983  1
  H  H113  1  0.743631  0.762894  0.628000  1
  H  H114  1  0.743537  0.409011  0.592328  1
  H  H115  1  0.243371  0.045468  0.706293  1
  H  H116  1  0.243268  0.686330  0.692130  1
  H  H117  1  0.243482  0.326083  0.657398  1
  H  H118  1  0.743470  0.115714  0.650688  1
  H  H119  1  0.743690  0.821182  0.709356  1
  H  H120  1  0.743370  0.484873  0.689564  1
