# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.46591082
_cell_length_b   4.84942722
_cell_length_c   53.89297939
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.06712769
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni24 H8'
_cell_volume   644.465549783
_cell_formula_units_Z   8
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  0.249397  0.031201  0.369130  1
  Ni  Ni2  1  0.249453  0.280183  0.328574  1
  Ni  Ni3  1  0.249098  0.529548  0.368929  1
  Ni  Ni4  1  0.748656  0.028956  0.294893  1
  Ni  Ni5  1  0.749252  0.781075  0.333832  1
  Ni  Ni6  1  0.750310  0.532266  0.294944  1
  Ni  Ni7  1  0.248859  0.760966  0.480427  1
  Ni  Ni8  1  0.249308  0.015126  0.438570  1
  Ni  Ni9  1  0.248294  0.254754  0.479462  1
  Ni  Ni10  1  0.749040  0.778214  0.403596  1
  Ni  Ni11  1  0.748561  0.524016  0.445371  1
  Ni  Ni12  1  0.749486  0.282810  0.404391  1
  Ni  Ni13  1  0.248154  0.487283  0.591137  1
  Ni  Ni14  1  0.248632  0.741482  0.549361  1
  Ni  Ni15  1  0.247708  0.982687  0.590341  1
  Ni  Ni16  1  0.748334  0.504532  0.514305  1
  Ni  Ni17  1  0.747886  0.250372  0.556162  1
  Ni  Ni18  1  0.748900  0.010744  0.515271  1
  Ni  Ni19  1  0.248538  0.236542  0.699839  1
  Ni  Ni20  1  0.247941  0.484423  0.660900  1
  Ni  Ni21  1  0.246883  0.733232  0.699788  1
  Ni  Ni22  1  0.747796  0.234297  0.625602  1
  Ni  Ni23  1  0.747740  0.985315  0.666158  1
  Ni  Ni24  1  0.748095  0.735950  0.625803  1
  H  H25  1  0.749316  0.279004  0.354731  1
  H  H26  1  0.249447  0.780738  0.300842  1
  H  H27  1  0.748895  0.974871  0.463582  1
  H  H28  1  0.248962  0.561154  0.420252  1
  H  H29  1  0.748231  0.704344  0.574480  1
  H  H30  1  0.248299  0.290627  0.531150  1
  H  H31  1  0.747746  0.484760  0.693890  1
  H  H32  1  0.247877  0.986494  0.640001  1
