# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.48513172
_cell_length_b   13.77689587
_cell_length_c   49.95499638
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.99430494
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni60 H20'
_cell_volume   1710.3292292
_cell_formula_units_Z   20
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  0.738355  0.255054  0.360064  1
  Ni  Ni2  1  0.238576  0.858118  0.317357  1
  Ni  Ni3  1  0.738472  0.563394  0.287829  1
  Ni  Ni4  1  0.738481  1.007235  0.332982  1
  Ni  Ni5  1  0.738566  0.328844  0.316018  1
  Ni  Ni6  1  0.238461  1.014574  0.292010  1
  Ni  Ni7  1  0.238432  0.677201  0.316915  1
  Ni  Ni8  1  0.238554  0.411648  0.279586  1
  Ni  Ni9  1  0.238494  0.485580  0.323743  1
  Ni  Ni10  1  0.238480  0.908794  0.366887  1
  Ni  Ni11  1  0.238575  0.598245  0.360597  1
  Ni  Ni12  1  0.238509  0.166114  0.320318  1
  Ni  Ni13  1  0.738435  0.074137  0.447526  1
  Ni  Ni14  1  0.738519  0.670316  0.400031  1
  Ni  Ni15  1  0.738555  0.430766  0.364181  1
  Ni  Ni16  1  0.738530  0.844147  0.408028  1
  Ni  Ni17  1  0.738411  0.169663  0.405160  1
  Ni  Ni18  1  0.738512  0.758757  0.355942  1
  Ni  Ni19  1  0.238566  0.507876  0.403071  1
  Ni  Ni20  1  0.238430  0.100652  0.366055  1
  Ni  Ni21  1  0.238361  0.327387  0.401661  1
  Ni  Ni22  1  0.238512  0.728722  0.442544  1
  Ni  Ni23  1  0.238623  0.411958  0.445984  1
  Ni  Ni24  1  0.238487  1.009994  0.407391  1
  Ni  Ni25  1  0.738693  0.877306  0.527813  1
  Ni  Ni26  1  0.738548  0.474530  0.486374  1
  Ni  Ni27  1  0.738738  0.252703  0.448868  1
  Ni  Ni28  1  0.738787  0.652756  0.487436  1
  Ni  Ni29  1  0.738514  0.976904  0.488843  1
  Ni  Ni30  1  0.738547  0.569523  0.443079  1
  Ni  Ni31  1  0.238648  0.315979  0.489409  1
  Ni  Ni32  1  0.238503  0.913203  0.447970  1
  Ni  Ni33  1  0.238409  0.137752  0.488346  1
  Ni  Ni34  1  0.238458  0.537805  0.526914  1
  Ni  Ni35  1  0.238649  0.220985  0.532704  1
  Ni  Ni36  1  0.238682  0.813605  0.486939  1
  Ni  Ni37  1  0.738766  0.689857  0.609727  1
  Ni  Ni38  1  0.738630  0.282632  0.572712  1
  Ni  Ni39  1  0.738684  0.061787  0.533239  1
  Ni  Ni40  1  0.738835  0.463121  0.574121  1
  Ni  Ni41  1  0.738709  0.780515  0.568392  1
  Ni  Ni42  1  0.738573  0.378550  0.529799  1
  Ni  Ni43  1  0.238677  0.120192  0.575752  1
  Ni  Ni44  1  0.238761  0.716372  0.528257  1
  Ni  Ni45  1  0.238666  0.946361  0.567755  1
  Ni  Ni46  1  0.238641  0.359742  0.611602  1
  Ni  Ni47  1  0.238684  0.031751  0.619840  1
  Ni  Ni48  1  0.238785  0.620845  0.570623  1
  Ni  Ni49  1  0.738642  0.378860  0.696196  1
  Ni  Ni50  1  0.738764  0.113308  0.658867  1
  Ni  Ni51  1  0.738716  0.881714  0.608896  1
  Ni  Ni52  1  0.738702  0.304928  0.652040  1
  Ni  Ni53  1  0.738687  0.624395  0.655464  1
  Ni  Ni54  1  0.738621  0.192263  0.615186  1
  Ni  Ni55  1  0.738620  0.932390  0.658425  1
  Ni  Ni56  1  0.238841  0.535454  0.615718  1
  Ni  Ni57  1  0.238715  0.783273  0.642800  1
  Ni  Ni58  1  0.238724  0.227114  0.687954  1
  Ni  Ni59  1  0.738735  0.775935  0.683773  1
  Ni  Ni60  1  0.238630  0.461664  0.659764  1
  H  H61  1  0.238501  0.354049  0.343587  1
  H  H62  1  0.738514  0.934935  0.298393  1
  H  H63  1  0.738484  0.589256  0.326931  1
  H  H64  1  0.738594  0.337158  0.277486  1
  H  H65  1  0.238509  0.158445  0.432593  1
  H  H66  1  0.238517  0.776020  0.385417  1
  H  H67  1  0.738535  0.424112  0.418577  1
  H  H68  1  0.738464  1.004452  0.375723  1
  H  H69  1  0.238646  0.973590  0.521251  1
  H  H70  1  0.238611  0.556700  0.470542  1
  H  H71  1  0.738585  0.233808  0.505240  1
  H  H72  1  0.738550  0.816918  0.454532  1
  H  H73  1  0.238732  0.786057  0.600059  1
  H  H74  1  0.238661  0.366396  0.557205  1
  H  H75  1  0.738679  1.014488  0.590366  1
  H  H76  1  0.738687  0.632063  0.543190  1
  H  H77  1  0.238602  0.453351  0.698297  1
  H  H78  1  0.238712  0.201253  0.648852  1
  H  H79  1  0.238682  0.855573  0.677390  1
  H  H80  1  0.738695  0.436459  0.632195  1
