# generated using pymatgen data_Sc3Co8P6W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60229710 _cell_length_b 10.33174251 _cell_length_c 11.92214228 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3Co8P6W _chemical_formula_sum 'Sc6 Co16 P12 W2' _cell_volume 443.71836328 _cell_formula_units_Z 2 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 0.75000000 0.25000000 0.47171715 1.0 Sc Sc1 1 0.25000000 0.75000000 0.52828285 1.0 Sc Sc2 1 0.25000000 0.92884887 0.79455324 1.0 Sc Sc3 1 0.25000000 0.57115113 0.79455324 1.0 Sc Sc4 1 0.75000000 0.07115113 0.20544676 1.0 Sc Sc5 1 0.75000000 0.42884887 0.20544676 1.0 Co Co6 1 0.25000000 0.25000000 0.30001414 1.0 Co Co7 1 0.75000000 0.75000000 0.69998586 1.0 Co Co8 1 0.75000000 0.25000000 0.01339981 1.0 Co Co9 1 0.25000000 0.75000000 0.98660019 1.0 Co Co10 1 0.25000000 0.41692655 0.01013338 1.0 Co Co11 1 0.25000000 0.08307345 0.01013338 1.0 Co Co12 1 0.75000000 0.58307345 0.98986662 1.0 Co Co13 1 0.75000000 0.91692655 0.98986662 1.0 Co Co14 1 0.25000000 0.45306232 0.56714682 1.0 Co Co15 1 0.25000000 0.04693768 0.56714682 1.0 Co Co16 1 0.75000000 0.54693768 0.43285318 1.0 Co Co17 1 0.75000000 0.95306232 0.43285318 1.0 Co Co18 1 0.25000000 0.87439428 0.29451478 1.0 Co Co19 1 0.25000000 0.62560572 0.29451478 1.0 Co Co20 1 0.75000000 0.12560572 0.70548522 1.0 Co Co21 1 0.75000000 0.37439428 0.70548522 1.0 P P22 1 0.25000000 0.25000000 0.12298211 1.0 P P23 1 0.75000000 0.75000000 0.87701789 1.0 P P24 1 0.25000000 0.25000000 0.64311085 1.0 P P25 1 0.75000000 0.75000000 0.35688915 1.0 P P26 1 0.25000000 0.43520729 0.38253356 1.0 P P27 1 0.25000000 0.06479271 0.38253356 1.0 P P28 1 0.75000000 0.56479271 0.61746644 1.0 P P29 1 0.75000000 0.93520729 0.61746644 1.0 P P30 1 0.25000000 0.90944803 0.11031718 1.0 P P31 1 0.25000000 0.59055197 0.11031718 1.0 P P32 1 0.75000000 0.09055197 0.88968282 1.0 P P33 1 0.75000000 0.40944803 0.88968282 1.0 W W34 1 0.25000000 0.25000000 0.84084541 1.0 W W35 1 0.75000000 0.75000000 0.15915459 1.0