# generated using pymatgen data_HfSc3Si8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67381400 _cell_length_b 3.73359600 _cell_length_c 14.59969300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSc3Si8 _chemical_formula_sum 'Hf1 Sc3 Si8' _cell_volume 200.25723295 _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 0.10424000 1.0 Sc Sc1 1 0.00000000 0.50000000 0.60278100 1.0 Sc Sc2 1 0.50000000 0.50000000 0.39631900 1.0 Sc Sc3 1 0.50000000 0.00000000 0.89810000 1.0 Si Si4 1 0.00000000 0.00000000 0.44869600 1.0 Si Si5 1 0.00000000 0.50000000 0.94513100 1.0 Si Si6 1 0.50000000 0.50000000 0.05280600 1.0 Si Si7 1 0.50000000 0.00000000 0.55275500 1.0 Si Si8 1 0.00000000 0.50000000 0.24894800 1.0 Si Si9 1 0.00000000 0.00000000 0.74952800 1.0 Si Si10 1 0.50000000 0.00000000 0.24996600 1.0 Si Si11 1 0.50000000 0.50000000 0.75073000 1.0