# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.48377397
_cell_length_b   10.23566694
_cell_length_c   50.52865426
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.07619524
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni48 H16'
_cell_volume   1284.59304228
_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  0.253327  0.782666  0.373205  1
  Ni  Ni2  1  0.253315  0.165613  0.316266  1
  Ni  Ni3  1  0.253321  0.753032  0.324847  1
  Ni  Ni4  1  0.253915  0.369472  0.378596  1
  Ni  Ni5  1  0.253150  0.977552  0.347858  1
  Ni  Ni6  1  0.252885  0.369819  0.292651  1
  Ni  Ni7  1  0.753549  0.174778  0.360917  1
  Ni  Ni8  1  0.753273  0.566436  0.305883  1
  Ni  Ni9  1  0.753089  0.952536  0.307538  1
  Ni  Ni10  1  0.752472  0.582054  0.355801  1
  Ni  Ni11  1  0.753907  0.986788  0.390823  1
  Ni  Ni12  1  0.753473  0.369308  0.334051  1
  Ni  Ni13  1  0.253626  0.011134  0.485216  1
  Ni  Ni14  1  0.253438  0.398674  0.429385  1
  Ni  Ni15  1  0.254169  0.981327  0.434893  1
  Ni  Ni16  1  0.254206  0.595625  0.490207  1
  Ni  Ni17  1  0.252757  0.198435  0.456616  1
  Ni  Ni18  1  0.252642  0.584840  0.400577  1
  Ni  Ni19  1  0.753325  0.399538  0.472927  1
  Ni  Ni20  1  0.753241  0.785585  0.416992  1
  Ni  Ni21  1  0.752509  0.203049  0.412016  1
  Ni  Ni22  1  0.752806  0.814281  0.467957  1
  Ni  Ni23  1  0.754170  0.212433  0.501391  1
  Ni  Ni24  1  0.754075  0.599302  0.445574  1
  Ni  Ni25  1  0.253894  0.238084  0.596884  1
  Ni  Ni26  1  0.253809  0.624131  0.540948  1
  Ni  Ni27  1  0.254328  0.209388  0.545919  1
  Ni  Ni28  1  0.254625  0.820619  0.601859  1
  Ni  Ni29  1  0.253059  0.424366  0.568302  1
  Ni  Ni30  1  0.252965  0.811236  0.512485  1
  Ni  Ni31  1  0.753696  0.624995  0.584491  1
  Ni  Ni32  1  0.753509  0.012534  0.528659  1
  Ni  Ni33  1  0.752928  0.428043  0.523668  1
  Ni  Ni34  1  0.752965  0.042342  0.578983  1
  Ni  Ni35  1  0.754492  0.438829  0.613299  1
  Ni  Ni36  1  0.754377  0.825233  0.557260  1
  Ni  Ni37  1  0.253861  0.457232  0.707992  1
  Ni  Ni38  1  0.253585  0.848890  0.652959  1
  Ni  Ni39  1  0.254662  0.441614  0.658074  1
  Ni  Ni40  1  0.254045  0.071133  0.706338  1
  Ni  Ni41  1  0.253661  0.654361  0.679825  1
  Ni  Ni42  1  0.253227  0.036880  0.623052  1
  Ni  Ni43  1  0.753820  0.858056  0.697609  1
  Ni  Ni44  1  0.753807  0.241003  0.640670  1
  Ni  Ni45  1  0.753219  0.654197  0.635280  1
  Ni  Ni46  1  0.753813  0.270637  0.689028  1
  Ni  Ni47  1  0.754249  0.653849  0.721224  1
  Ni  Ni48  1  0.753984  0.046117  0.666017  1
  H  H49  1  0.753241  0.845641  0.342106  1
  H  H50  1  0.752762  0.265380  0.297422  1
  H  H51  1  0.253234  0.146268  0.387758  1
  H  H52  1  0.253119  0.516139  0.326931  1
  H  H53  1  0.753611  0.041716  0.458733  1
  H  H54  1  0.753413  0.426307  0.402888  1
  H  H55  1  0.253389  0.370731  0.499447  1
  H  H56  1  0.253292  0.758196  0.443586  1
  H  H57  1  0.753843  0.265473  0.570290  1
  H  H58  1  0.753745  0.652937  0.514428  1
  H  H59  1  0.253721  0.597362  0.610987  1
  H  H60  1  0.253523  0.981952  0.555142  1
  H  H61  1  0.754015  0.507530  0.686945  1
  H  H62  1  0.753900  0.877401  0.626118  1
  H  H63  1  0.254372  0.758289  0.716453  1
  H  H64  1  0.253893  0.178028  0.671770  1
