# generated using pymatgen data_Sc3Ta(Co4P3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.95455673 _cell_length_b 11.93450043 _cell_length_c 3.59761982 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.94451118 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3Ta(Co4P3)2 _chemical_formula_sum 'Sc6 Ta2 Co16 P12' _cell_volume 444.76047099 _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 1.00000000 0.55665097 0.00000000 1.0 Sc Sc1 1 0.66584112 0.33355479 0.00000000 1.0 Sc Sc2 1 0.33415888 0.66771468 0.00000000 1.0 Sc Sc3 1 0.81776682 0.81886739 0.50000000 1.0 Sc Sc4 1 0.18223318 0.00109957 0.50000000 1.0 Sc Sc5 1 0.00000000 0.18021456 0.50000000 1.0 Ta Ta6 1 0.44331857 0.44466377 0.00000000 1.0 Ta Ta7 1 0.55668143 0.00134519 0.00000000 1.0 Co Co8 1 0.19611145 0.37062350 0.00000000 1.0 Co Co9 1 0.17960605 0.80647219 0.00000000 1.0 Co Co10 1 0.82039395 0.62686614 0.00000000 1.0 Co Co11 1 0.80388855 0.17451305 0.00000000 1.0 Co Co12 1 0.37298993 0.19645668 0.00000000 1.0 Co Co13 1 0.12745274 0.48032250 0.50000000 1.0 Co Co14 1 0.35683929 0.87553682 0.50000000 1.0 Co Co15 1 0.51667040 0.64554258 0.50000000 1.0 Co Co16 1 0.64316071 0.51869753 0.50000000 1.0 Co Co17 1 0.87254726 0.35286976 0.50000000 1.0 Co Co18 1 0.48332960 0.12887318 0.50000000 1.0 Co Co19 1 0.00000000 0.99883714 0.00000000 1.0 Co Co20 1 0.72024254 0.99854906 0.50000000 1.0 Co Co21 1 0.00000000 0.72092546 0.50000000 1.0 Co Co22 1 0.62701007 0.82346575 0.00000000 1.0 Co Co23 1 0.27975746 0.27830652 0.50000000 1.0 P P24 1 0.64970018 0.65068270 0.00000000 1.0 P P25 1 0.35029982 0.00098352 0.00000000 1.0 P P26 1 0.00000000 0.34766645 0.00000000 1.0 P P27 1 0.48309429 0.31236654 0.50000000 1.0 P P28 1 0.68964246 0.17201737 0.50000000 1.0 P P29 1 0.82592210 0.51638565 0.50000000 1.0 P P30 1 0.51690571 0.82927225 0.50000000 1.0 P P31 1 0.17407790 0.69046356 0.50000000 1.0 P P32 1 0.82540718 0.99938644 0.00000000 1.0 P P33 1 0.00000000 0.82345053 0.00000000 1.0 P P34 1 0.31035754 0.48237491 0.50000000 1.0 P P35 1 0.17459282 0.17397926 0.00000000 1.0