# generated using pymatgen data_HfSc7H16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.72808115 _cell_length_b 6.72808126 _cell_length_c 6.72808017 _cell_angle_alpha 60.00000042 _cell_angle_beta 59.99999990 _cell_angle_gamma 60.00000046 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSc7H16 _chemical_formula_sum 'Hf1 Sc7 H16' _cell_volume 215.35681094 _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 Hf Hf0 1 0.00000000 0.00000000 0.00000000 1.0 Sc Sc1 1 0.00000000 0.00000000 0.50000000 1.0 Sc Sc2 1 0.50000000 0.00000000 0.50000000 1.0 Sc Sc3 1 0.00000000 0.50000000 0.50000000 1.0 Sc Sc4 1 0.50000000 0.50000000 0.00000000 1.0 Sc Sc5 1 0.00000000 0.50000000 0.00000000 1.0 Sc Sc6 1 0.50000000 0.00000000 0.00000000 1.0 Sc Sc7 1 0.50000000 0.50000000 0.50000000 1.0 H H8 1 0.87719187 0.87719187 0.36842540 1.0 H H9 1 0.87719187 0.36842540 0.87719187 1.0 H H10 1 0.36842540 0.87719187 0.87719187 1.0 H H11 1 0.87719187 0.87719187 0.87719187 1.0 H H12 1 0.12280813 0.12280813 0.63157460 1.0 H H13 1 0.12280813 0.63157460 0.12280813 1.0 H H14 1 0.63157460 0.12280813 0.12280813 1.0 H H15 1 0.12280813 0.12280813 0.12280813 1.0 H H16 1 0.62533353 0.62533353 0.12399640 1.0 H H17 1 0.62533353 0.12399640 0.62533353 1.0 H H18 1 0.12399640 0.62533353 0.62533353 1.0 H H19 1 0.62533353 0.62533353 0.62533353 1.0 H H20 1 0.37466647 0.37466647 0.87600360 1.0 H H21 1 0.37466647 0.87600360 0.37466647 1.0 H H22 1 0.87600360 0.37466647 0.37466647 1.0 H H23 1 0.37466647 0.37466647 0.37466647 1.0