# generated using pymatgen data_LiSc4Co19P12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57518026 _cell_length_b 10.04915604 _cell_length_c 11.56014713 _cell_angle_alpha 89.91702754 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiSc4Co19P12 _chemical_formula_sum 'Li1 Sc4 Co19 P12' _cell_volume 415.32726315 _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 Li Li0 1 0.25000000 0.70418179 0.99010667 1.0 Sc Sc1 1 0.25000000 0.57907437 0.70156907 1.0 Sc Sc2 1 0.25000000 0.92137515 0.20228954 1.0 Sc Sc3 1 0.75000000 0.42044609 0.29860940 1.0 Sc Sc4 1 0.75000000 0.07904741 0.79800683 1.0 Co Co5 1 0.25000000 0.78647509 0.49151005 1.0 Co Co6 1 0.75000000 0.28844544 0.00874747 1.0 Co Co7 1 0.75000000 0.21318021 0.50895698 1.0 Co Co8 1 0.25000000 0.40633775 0.48526357 1.0 Co Co9 1 0.25000000 0.09458645 0.98514986 1.0 Co Co10 1 0.75000000 0.59299323 0.51629354 1.0 Co Co11 1 0.75000000 0.90806573 0.01593351 1.0 Co Co12 1 0.25000000 0.22439588 0.17507166 1.0 Co Co13 1 0.25000000 0.27717442 0.67490999 1.0 Co Co14 1 0.75000000 0.77848024 0.82263959 1.0 Co Co15 1 0.75000000 0.72156996 0.32782447 1.0 Co Co16 1 0.25000000 0.88311621 0.69906540 1.0 Co Co17 1 0.25000000 0.61984447 0.20151534 1.0 Co Co18 1 0.75000000 0.11858384 0.29942284 1.0 Co Co19 1 0.75000000 0.37959217 0.79956863 1.0 Co Co20 1 0.25000000 0.46299925 0.93134577 1.0 Co Co21 1 0.25000000 0.03543148 0.43156279 1.0 Co Co22 1 0.75000000 0.53540397 0.06794767 1.0 Co Co23 1 0.75000000 0.96594515 0.56680230 1.0 P P24 1 0.25000000 0.42359236 0.11569683 1.0 P P25 1 0.25000000 0.07893449 0.61547713 1.0 P P26 1 0.75000000 0.57703096 0.88129143 1.0 P P27 1 0.75000000 0.92139072 0.38365741 1.0 P P28 1 0.25000000 0.26390618 0.86533246 1.0 P P29 1 0.25000000 0.23523231 0.36494180 1.0 P P30 1 0.75000000 0.73584545 0.13842335 1.0 P P31 1 0.75000000 0.76609636 0.63427516 1.0 P P32 1 0.25000000 0.59885660 0.39216660 1.0 P P33 1 0.25000000 0.90178575 0.89061607 1.0 P P34 1 0.75000000 0.40020586 0.60934740 1.0 P P35 1 0.75000000 0.10038022 0.10866043 1.0