# generated using pymatgen
data_NiH
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67125925
_cell_length_b   3.67125925
_cell_length_c   49.89117731
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiH
_chemical_formula_sum   'Ni24 H24'
_cell_volume   672.440495899
_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  1.009455  1.009455  0.278796  1
  Ni  Ni2  1  0.509455  0.509455  0.278796  1
  Ni  Ni3  1  1.009455  0.509455  0.313759  1
  Ni  Ni4  1  0.509455  1.009455  0.313759  1
  Ni  Ni5  1  1.009455  1.009455  0.351760  1
  Ni  Ni6  1  0.509455  0.509455  0.351760  1
  Ni  Ni7  1  1.009455  0.509455  0.390732  1
  Ni  Ni8  1  0.509455  1.009455  0.390732  1
  Ni  Ni9  1  1.009455  1.009455  0.429426  1
  Ni  Ni10  1  0.509455  0.509455  0.429426  1
  Ni  Ni11  1  1.009455  0.509455  0.468037  1
  Ni  Ni12  1  0.509455  1.009455  0.468037  1
  Ni  Ni13  1  1.009455  1.009455  0.506661  1
  Ni  Ni14  1  0.509455  0.509455  0.506661  1
  Ni  Ni15  1  1.009455  0.509455  0.545272  1
  Ni  Ni16  1  0.509455  1.009455  0.545272  1
  Ni  Ni17  1  1.009455  1.009455  0.583966  1
  Ni  Ni18  1  0.509455  0.509455  0.583966  1
  Ni  Ni19  1  1.009455  0.509455  0.622938  1
  Ni  Ni20  1  0.509455  1.009455  0.622938  1
  Ni  Ni21  1  1.009455  1.009455  0.660939  1
  Ni  Ni22  1  0.509455  0.509455  0.660939  1
  Ni  Ni23  1  1.009455  0.509455  0.695902  1
  Ni  Ni24  1  0.509455  1.009455  0.695902  1
  H  H25  1  1.009455  0.509455  0.275100  1
  H  H26  1  0.509455  1.009455  0.275100  1
  H  H27  1  1.009455  1.009455  0.313649  1
  H  H28  1  0.509455  0.509455  0.313649  1
  H  H29  1  1.009455  0.509455  0.352505  1
  H  H30  1  0.509455  1.009455  0.352505  1
  H  H31  1  1.009455  1.009455  0.390757  1
  H  H32  1  0.509455  0.509455  0.390757  1
  H  H33  1  1.009455  0.509455  0.429362  1
  H  H34  1  0.509455  1.009455  0.429362  1
  H  H35  1  1.009455  1.009455  0.468029  1
  H  H36  1  0.509455  0.509455  0.468029  1
  H  H37  1  1.009455  0.509455  0.506669  1
  H  H38  1  0.509455  1.009455  0.506669  1
  H  H39  1  1.009455  1.009455  0.545336  1
  H  H40  1  0.509455  0.509455  0.545336  1
  H  H41  1  1.009455  0.509455  0.583940  1
  H  H42  1  0.509455  1.009455  0.583940  1
  H  H43  1  1.009455  1.009455  0.622193  1
  H  H44  1  0.509455  0.509455  0.622193  1
  H  H45  1  1.009455  0.509455  0.661049  1
  H  H46  1  0.509455  1.009455  0.661049  1
  H  H47  1  1.009455  1.009455  0.699598  1
  H  H48  1  0.509455  0.509455  0.699598  1
