# generated using pymatgen data_Sc6Co17P12Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58584761 _cell_length_b 10.29026808 _cell_length_c 11.86433947 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc6Co17P12Ru _chemical_formula_sum 'Sc6 Co17 P12 Ru1' _cell_volume 437.78621548 _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 Sc Sc0 1 0.00000000 0.50000000 0.52807216 1.0 Sc Sc1 1 0.50000000 0.00000000 0.47553244 1.0 Sc Sc2 1 0.50000000 0.81971404 0.20745215 1.0 Sc Sc3 1 0.50000000 0.18028596 0.20745215 1.0 Sc Sc4 1 0.00000000 0.68116551 0.79275535 1.0 Sc Sc5 1 0.00000000 0.31883449 0.79275535 1.0 Co Co6 1 0.00000000 0.00000000 0.84044641 1.0 Co Co7 1 0.50000000 0.50000000 0.70229095 1.0 Co Co8 1 0.00000000 0.00000000 0.29739911 1.0 Co Co9 1 0.00000000 0.50000000 0.98796429 1.0 Co Co10 1 0.50000000 0.00000000 0.01325939 1.0 Co Co11 1 0.50000000 0.33212508 0.99070317 1.0 Co Co12 1 0.50000000 0.66787492 0.99070317 1.0 Co Co13 1 0.00000000 0.16692159 0.00642497 1.0 Co Co14 1 0.00000000 0.83307841 0.00642497 1.0 Co Co15 1 0.50000000 0.29840100 0.43087336 1.0 Co Co16 1 0.50000000 0.70159900 0.43087336 1.0 Co Co17 1 0.00000000 0.20262372 0.56690211 1.0 Co Co18 1 0.00000000 0.79737628 0.56690211 1.0 Co Co19 1 0.50000000 0.87705169 0.70734742 1.0 Co Co20 1 0.50000000 0.12294831 0.70734742 1.0 Co Co21 1 0.00000000 0.62311847 0.29310603 1.0 Co Co22 1 0.00000000 0.37688153 0.29310603 1.0 P P23 1 0.50000000 0.50000000 0.87875737 1.0 P P24 1 0.00000000 0.00000000 0.12061554 1.0 P P25 1 0.50000000 0.50000000 0.35655602 1.0 P P26 1 0.00000000 0.00000000 0.65003783 1.0 P P27 1 0.50000000 0.31416165 0.61770984 1.0 P P28 1 0.50000000 0.68583835 0.61770984 1.0 P P29 1 0.00000000 0.18418990 0.38240704 1.0 P P30 1 0.00000000 0.81581010 0.38240704 1.0 P P31 1 0.50000000 0.84561528 0.88927912 1.0 P P32 1 0.50000000 0.15438472 0.88927912 1.0 P P33 1 0.00000000 0.65850547 0.10898628 1.0 P P34 1 0.00000000 0.34149453 0.10898628 1.0 Ru Ru35 1 0.50000000 0.50000000 0.16117685 1.0