# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89849731
_cell_length_b   4.89118160
_cell_length_c   59.96176862
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni48 H16'
_cell_volume   1436.65039164
_cell_formula_units_Z   16
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  0.320760  0.968021  0.272837  1
  Ni  Ni2  1  0.437863  0.467950  0.272728  1
  Ni  Ni3  1  0.457178  0.453421  0.204064  1
  Ni  Ni4  1  0.947923  0.354819  0.284667  1
  Ni  Ni5  1  0.812894  0.853570  0.284687  1
  Ni  Ni6  1  0.296325  0.953373  0.204077  1
  Ni  Ni7  1  0.452069  0.194447  0.237642  1
  Ni  Ni8  1  0.303727  0.694724  0.237675  1
  Ni  Ni9  1  0.932142  0.096781  0.249082  1
  Ni  Ni10  1  0.787174  0.859983  0.214911  1
  Ni  Ni11  1  0.966559  0.359817  0.214891  1
  Ni  Ni12  1  0.824516  0.596798  0.249038  1
  Ni  Ni13  1  0.508340  0.706978  0.376091  1
  Ni  Ni14  1  0.362870  0.202669  0.375795  1
  Ni  Ni15  1  0.261976  0.693592  0.306409  1
  Ni  Ni16  1  0.491521  0.393777  0.411757  1
  Ni  Ni17  1  1.031404  0.865915  0.393584  1
  Ni  Ni18  1  0.505007  0.195104  0.306181  1
  Ni  Ni19  1  0.485260  0.454040  0.340421  1
  Ni  Ni20  1  0.315496  0.953550  0.340581  1
  Ni  Ni21  1  0.830516  0.093471  0.359910  1
  Ni  Ni22  1  0.795086  0.811233  0.324422  1
  Ni  Ni23  1  0.985941  0.304183  0.324186  1
  Ni  Ni24  1  1.006835  0.591845  0.358384  1
  Ni  Ni25  1  0.105669  0.672959  0.502304  1
  Ni  Ni26  1  0.280340  0.181625  0.499968  1
  Ni  Ni27  1  0.942601  0.364825  0.395172  1
  Ni  Ni28  1  0.764998  0.321100  0.485307  1
  Ni  Ni29  1  0.594333  0.811468  0.486598  1
  Ni  Ni30  1  0.548993  0.899176  0.413515  1
  Ni  Ni31  1  0.091309  0.141356  0.430263  1
  Ni  Ni32  1  0.110329  0.643962  0.429742  1
  Ni  Ni33  1  0.076687  0.925547  0.466284  1
  Ni  Ni34  1  0.660195  0.603876  0.448790  1
  Ni  Ni35  1  0.594964  0.106348  0.450496  1
  Ni  Ni36  1  0.221174  0.434100  0.466142  1
  Ni  Ni37  1  0.300090  0.830605  0.599413  1
  Ni  Ni38  1  0.469346  0.334750  0.595699  1
  Ni  Ni39  1  0.628681  0.516439  0.522127  1
  Ni  Ni40  1  0.965888  0.466960  0.586565  1
  Ni  Ni41  1  0.781288  0.939732  0.589186  1
  Ni  Ni42  1  0.828064  1.039204  0.519885  1
  Ni  Ni43  1  0.149007  0.393869  0.536000  1
  Ni  Ni44  1  0.355709  0.917959  0.532930  1
  Ni  Ni45  1  0.205609  0.104444  0.567708  1
  Ni  Ni46  1  0.892621  0.750523  0.552916  1
  Ni  Ni47  1  0.696357  0.228718  0.556680  1
  Ni  Ni48  1  0.420997  0.632676  0.564608  1
  H  H49  1  0.101035  1.029366  0.223801  1
  H  H50  1  0.652865  0.529348  0.223789  1
  H  H51  1  0.115076  0.658381  0.272256  1
  H  H52  1  0.644683  0.158170  0.272364  1
  H  H53  1  0.161416  0.269398  0.350700  1
  H  H54  1  0.656458  0.773427  0.350560  1
  H  H55  1  0.724599  0.640638  0.397847  1
  H  H56  1  0.679623  0.096514  0.389587  1
  H  H57  1  0.842062  0.884831  0.436874  1
  H  H58  1  0.361546  0.380193  0.439681  1
  H  H59  1  0.822962  0.372519  0.428009  1
  H  H60  1  0.348459  0.873297  0.441965  1
  H  H61  1  0.938262  0.994908  0.492190  1
  H  H62  1  0.435580  0.498057  0.493038  1
  H  H63  1  0.223870  0.522597  0.607846  1
  H  H64  1  0.538479  1.040104  0.608628  1
