# generated using pymatgen data_Hf2Sc2As6Ru7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01708735 _cell_length_b 7.02507825 _cell_length_c 7.02507915 _cell_angle_alpha 109.51588259 _cell_angle_beta 109.47193897 _cell_angle_gamma 109.47193696 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2Sc2As6Ru7 _chemical_formula_sum 'Hf2 Sc2 As6 Ru7' _cell_volume 266.43421913 _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 0.50000000 0.00000000 0.00000000 1.0 Hf Hf1 1 0.50000000 0.50000000 0.50000000 1.0 Sc Sc2 1 0.00000000 0.00000000 0.50000000 1.0 Sc Sc3 1 0.00000000 0.50000000 0.00000000 1.0 As As4 1 0.30949569 0.99712031 0.31237638 1.0 As As5 1 0.00000000 0.31272838 0.31272838 1.0 As As6 1 1.00000000 0.68727162 0.68727162 1.0 As As7 1 0.30949569 0.31237638 0.99712031 1.0 As As8 1 0.69050431 0.68762362 0.00287969 1.0 As As9 1 0.69050431 0.00287969 0.68762362 1.0 Ru Ru10 1 0.74619129 0.49645785 0.24973244 1.0 Ru Ru11 1 0.50000000 0.75000000 0.25000000 1.0 Ru Ru12 1 0.50000000 0.25000000 0.75000000 1.0 Ru Ru13 1 0.74619129 0.24973244 0.49645785 1.0 Ru Ru14 1 0.25380871 0.75026756 0.50354215 1.0 Ru Ru15 1 0.25380871 0.50354215 0.75026756 1.0 Ru Ru16 1 0.00000000 0.00000000 0.00000000 1.0