# generated using pymatgen
data_ScNb(NiH3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.40478383
_cell_length_b   5.40478338
_cell_length_c   4.24145003
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   142.95597514
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNb(NiH3)2
_chemical_formula_sum   'Sc1 Nb1 Ni2 H6'
_cell_volume   74.64083435
_cell_formula_units_Z   1
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
  Sc  Sc0  1  0.13885053  0.86114947  0.25000000  1.0
  Nb  Nb1  1  0.86097221  0.13902779  0.75000000  1.0
  Ni  Ni2  1  0.56831521  0.43168479  0.75000000  1.0
  Ni  Ni3  1  0.42758697  0.57241303  0.25000000  1.0
  H  H4  1  0.06112780  0.93887220  0.75000000  1.0
  H  H5  1  0.92257600  0.07742400  0.25000000  1.0
  H  H6  1  0.69285105  0.30714895  0.51222466  1.0
  H  H7  1  0.31743459  0.68256541  0.51978147  1.0
  H  H8  1  0.69285105  0.30714895  0.98777534  1.0
  H  H9  1  0.31743459  0.68256541  0.98021853  1.0