# generated using pymatgen
data_Sc2H6Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75084104
_cell_length_b   4.75084125
_cell_length_c   4.75084145
_cell_angle_alpha   59.99999861
_cell_angle_beta   59.99999713
_cell_angle_gamma   59.99999957
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2H6Ru
_chemical_formula_sum   'Sc2 H6 Ru1'
_cell_volume   75.82222810
_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  0.75000000  0.75000000  0.75000000  1.0
  Sc  Sc1  1  0.25000000  0.25000000  0.25000000  1.0
  H  H2  1  0.74485747  0.74485747  0.25514253  1.0
  H  H3  1  0.25514253  0.74485747  0.25514253  1.0
  H  H4  1  0.74485747  0.25514253  0.25514253  1.0
  H  H5  1  0.25514253  0.25514253  0.74485747  1.0
  H  H6  1  0.74485747  0.25514253  0.74485747  1.0
  H  H7  1  0.25514253  0.74485747  0.74485747  1.0
  Ru  Ru8  1  0.00000000  0.00000000  0.00000000  1.0