# generated using pymatgen
data_ZrSc(NiH3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54197726
_cell_length_b   5.54197622
_cell_length_c   4.31544111
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   143.62062199
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSc(NiH3)2
_chemical_formula_sum   'Zr1 Sc1 Ni2 H6'
_cell_volume   78.61471780
_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
  Zr  Zr0  1  0.13829545  0.86170455  0.25000000  1.0
  Sc  Sc1  1  0.86266403  0.13733597  0.75000000  1.0
  Ni  Ni2  1  0.57179374  0.42820626  0.75000000  1.0
  Ni  Ni3  1  0.42790518  0.57209482  0.25000000  1.0
  H  H4  1  0.07075075  0.92924925  0.75000000  1.0
  H  H5  1  0.93320462  0.06679538  0.25000000  1.0
  H  H6  1  0.68538452  0.31461548  0.49457124  1.0
  H  H7  1  0.31230910  0.68769090  0.49699015  1.0
  H  H8  1  0.68538452  0.31461548  0.00542876  1.0
  H  H9  1  0.31230910  0.68769090  0.00300985  1.0