# generated using pymatgen
data_NiH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.00308891
_cell_length_b   3.89768959
_cell_length_c   49.81585429
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiH3
_chemical_formula_sum   'Ni14 H42'
_cell_volume   583.099972266
_cell_formula_units_Z   14
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  0.757473  0.141728  0.321808  1
  Ni  Ni2  1  0.257473  0.634739  0.307268  1
  Ni  Ni3  1  0.757473  0.509144  0.381833  1
  Ni  Ni4  1  0.257473  0.003925  0.362863  1
  Ni  Ni5  1  0.757473  0.012527  0.445054  1
  Ni  Ni6  1  0.257473  0.510256  0.426408  1
  Ni  Ni7  1  0.757473  0.417482  0.506738  1
  Ni  Ni8  1  0.257473  0.912331  0.487799  1
  Ni  Ni9  1  0.757473  0.819557  0.568129  1
  Ni  Ni10  1  0.257473  0.317286  0.549483  1
  Ni  Ni11  1  0.757473  0.325888  0.631674  1
  Ni  Ni12  1  0.257473  0.820669  0.612705  1
  Ni  Ni13  1  0.757473  0.695073  0.687269  1
  Ni  Ni14  1  0.257473  0.188085  0.672729  1
  H  H15  1  0.257473  0.934335  0.328142  1
  H  H16  1  0.257473  0.144342  0.299440  1
  H  H17  1  0.257473  0.321067  0.329654  1
  H  H18  1  0.757473  0.839575  0.284696  1
  H  H19  1  0.757473  0.641144  0.315919  1
  H  H20  1  0.757473  0.424496  0.286791  1
  H  H21  1  0.257473  0.306140  0.392738  1
  H  H22  1  0.257473  0.508833  0.365781  1
  H  H23  1  0.257473  0.709527  0.392078  1
  H  H24  1  0.757473  0.242771  0.355129  1
  H  H25  1  0.757473  0.002198  0.380590  1
  H  H26  1  0.757473  0.836219  0.352670  1
  H  H27  1  0.257473  0.786739  0.453668  1
  H  H28  1  0.257473  0.015725  0.428009  1
  H  H29  1  0.257473  0.189326  0.455243  1
  H  H30  1  0.757473  0.713166  0.415945  1
  H  H31  1  0.757473  0.511949  0.442576  1
  H  H32  1  0.757473  0.309639  0.416416  1
  H  H33  1  0.257473  0.189182  0.515753  1
  H  H34  1  0.257473  0.418954  0.489905  1
  H  H35  1  0.257473  0.594584  0.516892  1
  H  H36  1  0.757473  0.140631  0.478784  1
  H  H37  1  0.757473  0.910858  0.504632  1
  H  H38  1  0.757473  0.735229  0.477645  1
  H  H39  1  0.257473  0.616646  0.578592  1
  H  H40  1  0.257473  0.817863  0.551961  1
  H  H41  1  0.257473  0.020173  0.578122  1
  H  H42  1  0.757473  0.543073  0.540869  1
  H  H43  1  0.757473  0.314088  0.566528  1
  H  H44  1  0.757473  0.140486  0.539294  1
  H  H45  1  0.257473  0.087041  0.639408  1
  H  H46  1  0.257473  0.327614  0.613947  1
  H  H47  1  0.257473  0.493594  0.641867  1
  H  H48  1  0.757473  0.023673  0.601800  1
  H  H49  1  0.757473  0.820980  0.628756  1
  H  H50  1  0.757473  0.620285  0.602459  1
  H  H51  1  0.257473  0.490237  0.709841  1
  H  H52  1  0.257473  0.688668  0.678618  1
  H  H53  1  0.257473  0.905316  0.707746  1
  H  H54  1  0.757473  0.395478  0.666395  1
  H  H55  1  0.757473  0.185470  0.695097  1
  H  H56  1  0.757473  0.008745  0.664883  1
