# generated using pymatgen data_SrHfP7Ru12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.38082203 _cell_length_b 9.38082120 _cell_length_c 3.91513383 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999422 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrHfP7Ru12 _chemical_formula_sum 'Sr1 Hf1 P7 Ru12' _cell_volume 298.37265860 _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 Sr Sr0 1 0.33333300 0.66666700 0.00000000 1.0 Hf Hf1 1 0.66666700 0.33333300 0.50000000 1.0 P P2 1 0.60713616 0.72080502 0.50000000 1.0 P P3 1 0.00000000 0.00000000 0.00000000 1.0 P P4 1 0.27919498 0.88633214 0.50000000 1.0 P P5 1 0.11366786 0.39286384 0.50000000 1.0 P P6 1 0.88723452 0.56900752 0.00000000 1.0 P P7 1 0.43099248 0.31822800 0.00000000 1.0 P P8 1 0.68177200 0.11276548 0.00000000 1.0 Ru Ru9 1 0.56299830 0.96668588 0.50000000 1.0 Ru Ru10 1 0.40368858 0.43700170 0.50000000 1.0 Ru Ru11 1 0.91612274 0.11862551 0.50000000 1.0 Ru Ru12 1 0.20250277 0.08387726 0.50000000 1.0 Ru Ru13 1 0.88137449 0.79749723 0.50000000 1.0 Ru Ru14 1 0.72791774 0.89089188 0.00000000 1.0 Ru Ru15 1 0.10910812 0.83702386 0.00000000 1.0 Ru Ru16 1 0.16297614 0.27208226 0.00000000 1.0 Ru Ru17 1 0.42413712 0.07746878 0.00000000 1.0 Ru Ru18 1 0.92253122 0.34666935 0.00000000 1.0 Ru Ru19 1 0.65333065 0.57586288 0.00000000 1.0 Ru Ru20 1 0.03331412 0.59631142 0.50000000 1.0