# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.48055214
_cell_length_b   5.95816711
_cell_length_c   53.38845704
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.01995590
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni30 H10'
_cell_volume   789.057011814
_cell_formula_units_Z   10
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  0.739307  0.399472  0.340732  1
  Ni  Ni2  1  0.738948  0.792242  0.328102  1
  Ni  Ni3  1  0.739136  0.465661  0.295517  1
  Ni  Ni4  1  0.238998  0.195068  0.268801  1
  Ni  Ni5  1  0.239316  0.811491  0.285287  1
  Ni  Ni6  1  0.238985  0.132242  0.312311  1
  Ni  Ni7  1  0.739281  0.227494  0.432421  1
  Ni  Ni8  1  0.738805  0.622418  0.417886  1
  Ni  Ni9  1  0.739287  0.311390  0.386716  1
  Ni  Ni10  1  0.239112  0.055830  0.357334  1
  Ni  Ni11  1  0.239452  0.657104  0.371428  1
  Ni  Ni12  1  0.239048  0.970853  0.402649  1
  Ni  Ni13  1  0.739270  0.054192  0.523429  1
  Ni  Ni14  1  0.738800  0.449266  0.508842  1
  Ni  Ni15  1  0.739274  0.137060  0.477774  1
  Ni  Ni16  1  0.239035  0.880778  0.447957  1
  Ni  Ni17  1  0.239504  0.485704  0.462544  1
  Ni  Ni18  1  0.239031  0.797910  0.493612  1
  Ni  Ni19  1  0.739192  0.879140  0.614052  1
  Ni  Ni20  1  0.738852  0.277866  0.599958  1
  Ni  Ni21  1  0.739257  0.964117  0.568737  1
  Ni  Ni22  1  0.239024  0.707476  0.538965  1
  Ni  Ni23  1  0.239500  0.312552  0.553500  1
  Ni  Ni24  1  0.239017  0.623580  0.584670  1
  Ni  Ni25  1  0.739306  0.739902  0.702585  1
  Ni  Ni26  1  0.738988  0.123479  0.686099  1
  Ni  Ni27  1  0.739319  0.802728  0.659075  1
  Ni  Ni28  1  0.238997  0.535498  0.630654  1
  Ni  Ni29  1  0.239356  0.142728  0.643284  1
  Ni  Ni30  1  0.239169  0.469309  0.675869  1
  H  H31  1  0.239103  0.586211  0.316531  1
  H  H32  1  0.739087  0.027576  0.279551  1
  H  H33  1  0.239153  0.370964  0.411928  1
  H  H34  1  0.739181  0.907308  0.377600  1
  H  H35  1  0.239143  0.197452  0.502930  1
  H  H36  1  0.739162  0.737518  0.468456  1
  H  H37  1  0.239123  0.027662  0.593786  1
  H  H38  1  0.739152  0.564006  0.559458  1
  H  H39  1  0.239218  0.907394  0.691835  1
  H  H40  1  0.739201  0.348759  0.654856  1
