# generated using pymatgen data_Sc7Co16P12W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.92414509 _cell_length_b 11.92414491 _cell_length_c 3.61428873 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.88745889 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc7Co16P12W _chemical_formula_sum 'Sc7 Co16 P12 W1' _cell_volume 445.55299069 _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 0.81440043 0.81440043 0.50000000 1.0 Sc Sc1 1 0.00037762 0.18172858 0.50000000 1.0 Sc Sc2 1 0.55820828 0.00128664 0.00000000 1.0 Sc Sc3 1 0.33443456 0.66535572 0.00000000 1.0 Sc Sc4 1 0.66535572 0.33443456 0.00000000 1.0 Sc Sc5 1 0.00128664 0.55820828 0.00000000 1.0 Sc Sc6 1 0.18172858 0.00037762 0.50000000 1.0 Co Co7 1 0.62554458 0.81889321 0.00000000 1.0 Co Co8 1 0.37069493 0.19755384 0.00000000 1.0 Co Co9 1 0.99847839 0.72125244 0.50000000 1.0 Co Co10 1 0.27819325 0.27819325 0.50000000 1.0 Co Co11 1 0.87802827 0.35500323 0.50000000 1.0 Co Co12 1 0.72125244 0.99847839 0.50000000 1.0 Co Co13 1 0.81889321 0.62554458 0.00000000 1.0 Co Co14 1 0.17840261 0.80746001 0.00000000 1.0 Co Co15 1 0.35500323 0.87802827 0.50000000 1.0 Co Co16 1 0.13251233 0.48357908 0.50000000 1.0 Co Co17 1 0.64218404 0.51610663 0.50000000 1.0 Co Co18 1 0.99801947 0.99801947 0.00000000 1.0 Co Co19 1 0.51610663 0.64218404 0.50000000 1.0 Co Co20 1 0.48357908 0.13251233 0.50000000 1.0 Co Co21 1 0.19755384 0.37069493 0.00000000 1.0 Co Co22 1 0.80746001 0.17840261 0.00000000 1.0 P P23 1 0.00334777 0.35072492 0.00000000 1.0 P P24 1 0.82623739 0.51572818 0.50000000 1.0 P P25 1 0.69262883 0.17558608 0.50000000 1.0 P P26 1 0.17406146 0.17406146 0.00000000 1.0 P P27 1 0.64231140 0.64231140 0.00000000 1.0 P P28 1 0.82194901 0.99819375 0.00000000 1.0 P P29 1 0.51572818 0.82623739 0.50000000 1.0 P P30 1 0.17558608 0.69262883 0.50000000 1.0 P P31 1 0.35072492 0.00334777 0.00000000 1.0 P P32 1 0.48079356 0.31428054 0.50000000 1.0 P P33 1 0.99819375 0.82194901 0.00000000 1.0 P P34 1 0.31428054 0.48079356 0.50000000 1.0 W W35 1 0.44645397 0.44645397 0.00000000 1.0