# generated using pymatgen data_Sc15C19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.53863275 _cell_length_b 7.53863275 _cell_length_c 14.58714526 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc15C19 _chemical_formula_sum 'Sc30 C38' _cell_volume 829.00181507 _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 0.50000000 0.50000000 0.50000000 1.0 Sc Sc1 1 0.00000000 -0.00000000 0.00000000 1.0 Sc Sc2 1 0.00000000 -0.00000000 0.33360027 1.0 Sc Sc3 1 0.00000000 -0.00000000 0.66639973 1.0 Sc Sc4 1 0.50000000 0.50000000 0.16641203 1.0 Sc Sc5 1 0.50000000 0.50000000 0.83358797 1.0 Sc Sc6 1 0.59833023 0.21644982 0.64639699 1.0 Sc Sc7 1 0.40166977 0.78355018 0.64639699 1.0 Sc Sc8 1 0.28354636 0.90167010 0.14640103 1.0 Sc Sc9 1 0.78355018 0.59833023 0.35360301 1.0 Sc Sc10 1 0.21644982 0.40166977 0.35360301 1.0 Sc Sc11 1 0.90167010 0.71645364 0.85359897 1.0 Sc Sc12 1 0.09832990 0.28354636 0.85359897 1.0 Sc Sc13 1 0.71645364 0.09832990 0.14640103 1.0 Sc Sc14 1 0.78353737 0.59833288 0.64641307 1.0 Sc Sc15 1 0.21646263 0.40166712 0.64641307 1.0 Sc Sc16 1 0.90166760 0.71646607 0.14641704 1.0 Sc Sc17 1 0.40166712 0.78353737 0.35358693 1.0 Sc Sc18 1 0.59833288 0.21646263 0.35358693 1.0 Sc Sc19 1 0.71646607 0.09833240 0.85358296 1.0 Sc Sc20 1 0.28353393 0.90166760 0.85358296 1.0 Sc Sc21 1 0.09833240 0.28353393 0.14641704 1.0 Sc Sc22 1 0.70376816 0.90761694 0.49998406 1.0 Sc Sc23 1 0.29623184 0.09238306 0.49998406 1.0 Sc Sc24 1 0.59238353 0.79623308 0.99998419 1.0 Sc Sc25 1 0.09238306 0.70376816 0.50001594 1.0 Sc Sc26 1 0.90761694 0.29623184 0.50001594 1.0 Sc Sc27 1 0.79623308 0.40761647 0.00001581 1.0 Sc Sc28 1 0.20376692 0.59238353 0.00001581 1.0 Sc Sc29 1 0.40761647 0.20376692 0.99998419 1.0 C C30 1 0.50000000 0.50000000 0.00000000 1.0 C C31 1 0.00000000 -0.00000000 0.50000000 1.0 C C32 1 0.50000000 0.50000000 0.66141504 1.0 C C33 1 0.50000000 0.50000000 0.33858496 1.0 C C34 1 0.00000000 -0.00000000 0.83857751 1.0 C C35 1 0.00000000 -0.00000000 0.16142249 1.0 C C36 1 0.90585881 0.30283201 0.66727685 1.0 C C37 1 0.09414119 0.69716799 0.66727685 1.0 C C38 1 0.19716736 0.59414143 0.16728345 1.0 C C39 1 0.69716799 0.90585881 0.33272315 1.0 C C40 1 0.30283201 0.09414119 0.33272315 1.0 C C41 1 0.59414143 0.80283264 0.83271655 1.0 C C42 1 0.40585857 0.19716736 0.83271655 1.0 C C43 1 0.80283264 0.40585857 0.16728345 1.0 C C44 1 0.65079629 0.84925055 0.74995805 1.0 C C45 1 0.34920371 0.15074945 0.74995805 1.0 C C46 1 0.60308742 0.19803861 0.49999027 1.0 C C47 1 0.65074784 0.84920199 0.24996634 1.0 C C48 1 0.84925055 0.34920371 0.25004195 1.0 C C49 1 0.84920199 0.34925216 0.75003366 1.0 C C50 1 0.15079801 0.65074784 0.75003366 1.0 C C51 1 0.34925216 0.15079801 0.24996634 1.0 C C52 1 0.69718565 0.90587328 0.66716537 1.0 C C53 1 0.30281435 0.09412672 0.66716537 1.0 C C54 1 0.59412718 0.80281490 0.16717202 1.0 C C55 1 0.09412672 0.69718565 0.33283463 1.0 C C56 1 0.90587328 0.30281435 0.33283463 1.0 C C57 1 0.80281490 0.40587282 0.83282798 1.0 C C58 1 0.19718510 0.59412718 0.83282798 1.0 C C59 1 0.40587282 0.19718510 0.16717202 1.0 C C60 1 0.69803947 0.10308646 0.99999032 1.0 C C61 1 0.10308646 0.30196053 0.00000968 1.0 C C62 1 0.89691354 0.69803947 0.00000968 1.0 C C63 1 0.19803861 0.39691258 0.50000973 1.0 C C64 1 0.80196139 0.60308742 0.50000973 1.0 C C65 1 0.30196053 0.89691354 0.99999032 1.0 C C66 1 0.39691258 0.80196139 0.49999027 1.0 C C67 1 0.15074945 0.65079629 0.25004195 1.0