# generated using pymatgen
data_NiH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95433303
_cell_length_b   6.80371682
_cell_length_c   47.69962255
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiH3
_chemical_formula_sum   'Ni24 H72'
_cell_volume   958.783654164
_cell_formula_units_Z   24
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  0.265848  0.553430  0.351076  1
  Ni  Ni2  1  0.265848  0.045117  0.318672  1
  Ni  Ni3  1  0.765848  0.357019  0.316734  1
  Ni  Ni4  1  0.765848  0.720979  0.306761  1
  Ni  Ni5  1  0.265848  0.587583  0.428352  1
  Ni  Ni6  1  0.265848  0.070052  0.391099  1
  Ni  Ni7  1  0.765848  0.388870  0.391626  1
  Ni  Ni8  1  0.765848  0.872375  0.355026  1
  Ni  Ni9  1  0.265848  0.635083  0.504838  1
  Ni  Ni10  1  0.265848  0.112293  0.467063  1
  Ni  Ni11  1  0.765848  0.434077  0.469120  1
  Ni  Ni12  1  0.765848  0.910043  0.431617  1
  Ni  Ni13  1  0.265848  0.681902  0.580872  1
  Ni  Ni14  1  0.265848  0.157868  0.543368  1
  Ni  Ni15  1  0.765848  0.479652  0.545426  1
  Ni  Ni16  1  0.765848  0.956861  0.507651  1
  Ni  Ni17  1  0.265848  0.719569  0.657463  1
  Ni  Ni18  1  0.265848  0.203075  0.620863  1
  Ni  Ni19  1  0.765848  0.521893  0.621390  1
  Ni  Ni20  1  0.765848  0.004362  0.584137  1
  Ni  Ni21  1  0.265848  0.870966  0.705728  1
  Ni  Ni22  1  0.265848  0.234925  0.695755  1
  Ni  Ni23  1  0.765848  0.546828  0.693817  1
  Ni  Ni24  1  0.765848  0.038515  0.661412  1
  H  H25  1  0.765848  0.739421  0.269539  1
  H  H26  1  0.765848  0.116378  0.331843  1
  H  H27  1  0.765848  0.603946  0.334788  1
  H  H28  1  0.765848  0.153508  0.286095  1
  H  H29  1  0.765848  0.514054  0.281008  1
  H  H30  1  0.765848  0.948251  0.312108  1
  H  H31  1  0.265848  0.243608  0.293803  1
  H  H32  1  0.265848  0.796381  0.329548  1
  H  H33  1  0.265848  0.303022  0.326154  1
  H  H34  1  0.265848  0.849289  0.286478  1
  H  H35  1  0.265848  0.539083  0.310965  1
  H  H36  1  0.265848  0.013834  0.354647  1
  H  H37  1  0.765848  0.620698  0.369328  1
  H  H38  1  0.765848  0.139277  0.408026  1
  H  H39  1  0.765848  0.644637  0.413315  1
  H  H40  1  0.765848  0.124548  0.376086  1
  H  H41  1  0.765848  0.402719  0.352601  1
  H  H42  1  0.765848  0.929206  0.393622  1
  H  H43  1  0.265848  0.322479  0.375433  1
  H  H44  1  0.265848  0.843093  0.414355  1
  H  H45  1  0.265848  0.336409  0.407641  1
  H  H46  1  0.265848  0.811110  0.369584  1
  H  H47  1  0.265848  0.528311  0.391052  1
  H  H48  1  0.265848  0.051255  0.430172  1
  H  H49  1  0.765848  0.655863  0.445422  1
  H  H50  1  0.765848  0.181597  0.483917  1
  H  H51  1  0.765848  0.690462  0.489762  1
  H  H52  1  0.765848  0.166252  0.451845  1
  H  H53  1  0.765848  0.449266  0.429678  1
  H  H54  1  0.765848  -0.028450  0.468785  1
  H  H55  1  0.265848  0.364809  0.452139  1
  H  H56  1  0.265848  0.888649  0.490581  1
  H  H57  1  0.265848  0.379467  0.484285  1
  H  H58  1  0.265848  0.853922  0.446422  1
  H  H59  1  0.265848  0.573488  0.467349  1
  H  H60  1  0.265848  0.097061  0.506111  1
  H  H61  1  0.765848  0.703295  0.521908  1
  H  H62  1  0.765848  0.227135  0.560349  1
  H  H63  1  0.765848  0.738022  0.566066  1
  H  H64  1  0.765848  0.212478  0.528204  1
  H  H65  1  0.765848  0.494884  0.506378  1
  H  H66  1  0.765848  0.018457  0.545140  1
  H  H67  1  0.265848  0.410347  0.528572  1
  H  H68  1  0.265848  0.936082  0.567067  1
  H  H69  1  0.265848  0.425693  0.560644  1
  H  H70  1  0.265848  0.901483  0.522726  1
  H  H71  1  0.265848  0.620395  0.543704  1
  H  H72  1  0.265848  0.142679  0.582810  1
  H  H73  1  0.765848  0.748851  0.598133  1
  H  H74  1  0.765848  0.269466  0.637056  1
  H  H75  1  0.765848  0.780834  0.642905  1
  H  H76  1  0.765848  0.255535  0.604848  1
  H  H77  1  0.765848  0.540689  0.582317  1
  H  H78  1  0.765848  0.063633  0.621437  1
  H  H79  1  0.265848  0.452667  0.604462  1
  H  H80  1  0.265848  -0.028753  0.643161  1
  H  H81  1  0.265848  0.467397  0.636403  1
  H  H82  1  0.265848  0.947308  0.599174  1
  H  H83  1  0.265848  0.662739  0.618867  1
  H  H84  1  0.265848  0.189225  0.659888  1
  H  H85  1  0.765848  0.795563  0.682941  1
  H  H86  1  0.765848  0.348336  0.718685  1
  H  H87  1  0.765848  0.742656  0.726011  1
  H  H88  1  0.765848  0.288922  0.686335  1
  H  H89  1  0.765848  0.578111  0.657842  1
  H  H90  1  0.765848  0.052861  0.701523  1
  H  H91  1  0.265848  0.475566  0.680646  1
  H  H92  1  0.265848  0.852523  0.742949  1
  H  H93  1  0.265848  0.438436  0.726393  1
  H  H94  1  0.265848  -0.012002  0.677701  1
  H  H95  1  0.265848  0.643694  0.700381  1
  H  H96  1  0.265848  0.077891  0.731481  1
