# generated using pymatgen data_Sc2H5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36049100 _cell_length_b 5.77435200 _cell_length_c 6.05017900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2H5 _chemical_formula_sum 'Sc4 H10' _cell_volume 117.40165389 _cell_formula_units_Z 2 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 0.50000000 0.91076300 0.00000000 1.0 Sc Sc1 1 0.00000000 0.42322600 0.00000000 1.0 Sc Sc2 1 0.00000000 0.08923700 0.50000000 1.0 Sc Sc3 1 0.50000000 0.57677400 0.50000000 1.0 H H4 1 0.50000000 0.24447100 0.50000000 1.0 H H5 1 0.50000000 0.89419300 0.65984300 1.0 H H6 1 0.50000000 0.89419300 0.34015700 1.0 H H7 1 0.00000000 0.10580700 0.84015700 1.0 H H8 1 0.00000000 0.10580700 0.15984300 1.0 H H9 1 0.00000000 0.43903200 0.65809500 1.0 H H10 1 0.00000000 0.43903200 0.34190500 1.0 H H11 1 0.00000000 0.75552900 0.00000000 1.0 H H12 1 0.50000000 0.56096800 0.84190500 1.0 H H13 1 0.50000000 0.56096800 0.15809500 1.0