# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.48321588
_cell_length_b   17.62616046
_cell_length_c   53.85419783
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.03879557
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni90 H30'
_cell_volume   2357.17409026
_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  0.740413  0.392848  0.316379  1
  Ni  Ni2  1  0.739834  0.065425  0.344659  1
  Ni  Ni3  1  0.740674  0.726117  0.287127  1
  Ni  Ni4  1  0.740049  0.512624  0.294945  1
  Ni  Ni5  1  0.739717  0.186003  0.321912  1
  Ni  Ni6  1  0.739375  0.857460  0.352328  1
  Ni  Ni7  1  0.740329  0.389790  0.273327  1
  Ni  Ni8  1  0.739458  0.046406  0.299708  1
  Ni  Ni9  1  0.740590  0.729882  0.332448  1
  Ni  Ni10  1  0.240382  0.626133  0.309621  1
  Ni  Ni11  1  0.239999  0.294688  0.340825  1
  Ni  Ni12  1  0.239034  0.937247  0.281449  1
  Ni  Ni13  1  0.240542  0.501087  0.336778  1
  Ni  Ni14  1  0.239797  0.154126  0.283115  1
  Ni  Ni15  1  0.241143  0.828520  0.308652  1
  Ni  Ni16  1  0.239628  0.626817  0.355148  1
  Ni  Ni17  1  0.239943  0.285645  0.294640  1
  Ni  Ni18  1  0.239103  0.954498  0.326200  1
  Ni  Ni19  1  0.739887  0.409781  0.407143  1
  Ni  Ni20  1  0.739776  0.082052  0.437003  1
  Ni  Ni21  1  0.739808  0.734162  0.377010  1
  Ni  Ni22  1  0.739250  0.529089  0.381485  1
  Ni  Ni23  1  0.739104  0.201399  0.411767  1
  Ni  Ni24  1  0.738935  0.873586  0.442079  1
  Ni  Ni25  1  0.740191  0.401768  0.362006  1
  Ni  Ni26  1  0.739967  0.074747  0.391571  1
  Ni  Ni27  1  0.739945  0.745521  0.422624  1
  Ni  Ni28  1  0.239530  0.636544  0.402015  1
  Ni  Ni29  1  0.239493  0.310174  0.432318  1
  Ni  Ni30  1  0.239719  0.967830  0.371308  1
  Ni  Ni31  1  0.240287  0.519538  0.427851  1
  Ni  Ni32  1  0.240227  0.173040  0.366105  1
  Ni  Ni33  1  0.240142  0.844630  0.396581  1
  Ni  Ni34  1  0.239538  0.647696  0.447758  1
  Ni  Ni35  1  0.239546  0.300189  0.386170  1
  Ni  Ni36  1  0.239358  0.972545  0.416339  1
  Ni  Ni37  1  0.739776  0.428587  0.498309  1
  Ni  Ni38  1  0.740015  0.102524  0.529389  1
  Ni  Ni39  1  0.740013  0.756959  0.468253  1
  Ni  Ni40  1  0.739229  0.547223  0.472897  1
  Ni  Ni41  1  0.738935  0.218466  0.503207  1
  Ni  Ni42  1  0.739188  0.894172  0.533969  1
  Ni  Ni43  1  0.739881  0.418946  0.452978  1
  Ni  Ni44  1  0.739911  0.091032  0.483162  1
  Ni  Ni45  1  0.740044  0.766678  0.513979  1
  Ni  Ni46  1  0.239636  0.656964  0.493545  1
  Ni  Ni47  1  0.239399  0.328592  0.523601  1
  Ni  Ni48  1  0.239397  0.983027  0.462465  1
  Ni  Ni49  1  0.240183  0.538328  0.518957  1
  Ni  Ni50  1  0.240224  0.191379  0.457885  1
  Ni  Ni51  1  0.240477  0.867085  0.488646  1
  Ni  Ni52  1  0.239531  0.666605  0.538876  1
  Ni  Ni53  1  0.239368  0.318873  0.477874  1
  Ni  Ni54  1  0.239501  0.994519  0.508691  1
  Ni  Ni55  1  0.739882  0.449007  0.589838  1
  Ni  Ni56  1  0.739693  0.117721  0.620545  1
  Ni  Ni57  1  0.739919  0.775376  0.559535  1
  Ni  Ni58  1  0.739125  0.566013  0.564003  1
  Ni  Ni59  1  0.739270  0.240921  0.595272  1
  Ni  Ni60  1  0.739185  0.912511  0.625749  1
  Ni  Ni61  1  0.739874  0.437855  0.544096  1
  Ni  Ni62  1  0.740053  0.113006  0.575515  1
  Ni  Ni63  1  0.739866  0.785362  0.605683  1
  Ni  Ni64  1  0.239525  0.675770  0.584710  1
  Ni  Ni65  1  0.239604  0.351389  0.614844  1
  Ni  Ni66  1  0.239635  1.003498  0.554851  1
  Ni  Ni67  1  0.240162  0.556462  0.610368  1
  Ni  Ni68  1  0.240477  0.211965  0.549775  1
  Ni  Ni69  1  0.240308  0.884152  0.580087  1
  Ni  Ni70  1  0.239221  0.683783  0.629848  1
  Ni  Ni71  1  0.239467  0.340030  0.569229  1
  Ni  Ni72  1  0.239445  0.010804  0.600282  1
  Ni  Ni73  1  0.739030  0.459417  0.682232  1
  Ni  Ni74  1  0.740378  0.148304  0.710404  1
  Ni  Ni75  1  0.739412  0.790863  0.651029  1
  Ni  Ni76  1  0.738870  0.584464  0.655075  1
  Ni  Ni77  1  0.738269  0.257031  0.683201  1
  Ni  Ni78  1  0.739615  0.931425  0.708739  1
  Ni  Ni79  1  0.739783  0.458734  0.636706  1
  Ni  Ni80  1  0.740308  0.131053  0.665653  1
  Ni  Ni81  1  0.739469  0.799906  0.697213  1
  Ni  Ni82  1  0.238999  0.692703  0.675475  1
  Ni  Ni83  1  0.238737  0.359434  0.704727  1
  Ni  Ni84  1  0.239578  0.020125  0.647195  1
  Ni  Ni85  1  0.239362  0.572926  0.696909  1
  Ni  Ni86  1  0.240036  0.228091  0.639526  1
  Ni  Ni87  1  0.239694  0.899548  0.669941  1
  Ni  Ni88  1  0.239083  0.695761  0.718526  1
  Ni  Ni89  1  0.238822  0.355668  0.659406  1
  Ni  Ni90  1  0.239954  0.039145  0.692145  1
  H  H91  1  0.240288  0.441828  0.286279  1
  H  H92  1  0.239649  0.106793  0.316144  1
  H  H93  1  0.239831  0.782033  0.357365  1
  H  H94  1  0.740287  0.575294  0.328185  1
  H  H95  1  0.739950  0.215939  0.283085  1
  H  H96  1  0.739411  0.915405  0.300322  1
  H  H97  1  0.239775  0.448590  0.383922  1
  H  H98  1  0.239615  0.120660  0.413588  1
  H  H99  1  0.239676  0.789008  0.444425  1
  H  H100  1  0.739748  0.604616  0.425882  1
  H  H101  1  0.739971  0.249169  0.361861  1
  H  H102  1  0.739784  0.920634  0.391907  1
  H  H103  1  0.239633  0.465657  0.474702  1
  H  H104  1  0.239687  0.131046  0.505363  1
  H  H105  1  0.239734  0.811325  0.535897  1
  H  H106  1  0.739778  0.619894  0.517151  1
  H  H107  1  0.739678  0.274225  0.455956  1
  H  H108  1  0.739724  0.954505  0.486491  1
  H  H109  1  0.239664  0.480935  0.565972  1
  H  H110  1  0.239628  0.164916  0.599946  1
  H  H111  1  0.239441  0.836382  0.629992  1
  H  H112  1  0.739637  0.636961  0.607931  1
  H  H113  1  0.739736  0.296543  0.547428  1
  H  H114  1  0.739797  0.964891  0.578265  1
  H  H115  1  0.239125  0.510257  0.663668  1
  H  H116  1  0.240001  0.170146  0.691531  1
  H  H117  1  0.239462  0.869612  0.708769  1
  H  H118  1  0.739124  0.643723  0.705575  1
  H  H119  1  0.739581  0.303517  0.634488  1
  H  H120  1  0.739762  0.978758  0.675709  1
