# generated using pymatgen data_Li2Sc5Co17P12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.73855790 _cell_length_b 11.73855797 _cell_length_c 3.58959758 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.75232125 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Sc5Co17P12 _chemical_formula_sum 'Li2 Sc5 Co17 P12' _cell_volume 429.42210003 _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 0.43992974 0.99987208 0.00000000 1.0 Li Li1 1 0.99987208 0.43992974 0.00000000 1.0 Sc Sc2 1 0.33379981 0.66581456 0.00000000 1.0 Sc Sc3 1 0.66581456 0.33379981 0.00000000 1.0 Sc Sc4 1 0.81358666 0.99950686 0.50000000 1.0 Sc Sc5 1 0.99950686 0.81358666 0.50000000 1.0 Sc Sc6 1 0.18865731 0.18865731 0.50000000 1.0 Co Co7 1 0.55341515 0.55341515 0.00000000 1.0 Co Co8 1 0.35942001 0.48435493 0.50000000 1.0 Co Co9 1 0.51522449 0.87050486 0.50000000 1.0 Co Co10 1 0.12455477 0.64290883 0.50000000 1.0 Co Co11 1 0.87050486 0.51522449 0.50000000 1.0 Co Co12 1 0.64290883 0.12455477 0.50000000 1.0 Co Co13 1 0.48435493 0.35942001 0.50000000 1.0 Co Co14 1 0.18018949 0.37676495 0.00000000 1.0 Co Co15 1 0.62500128 0.80146362 0.00000000 1.0 Co Co16 1 0.19638387 0.82154018 0.00000000 1.0 Co Co17 1 0.80146362 0.62500128 0.00000000 1.0 Co Co18 1 0.82154018 0.19638387 0.00000000 1.0 Co Co19 1 0.37676495 0.18018949 0.00000000 1.0 Co Co20 1 0.28316661 0.00112077 0.50000000 1.0 Co Co21 1 0.00112077 0.28316661 0.50000000 1.0 Co Co22 1 0.71726935 0.71726935 0.50000000 1.0 Co Co23 1 0.00189472 0.00189472 0.00000000 1.0 P P24 1 0.18058745 0.00161278 0.00000000 1.0 P P25 1 0.00161278 0.18058745 0.00000000 1.0 P P26 1 0.82332394 0.82332394 0.00000000 1.0 P P27 1 0.17181698 0.48432898 0.50000000 1.0 P P28 1 0.51826095 0.68544165 0.50000000 1.0 P P29 1 0.31078191 0.82757821 0.50000000 1.0 P P30 1 0.68544165 0.51826095 0.50000000 1.0 P P31 1 0.82757821 0.31078191 0.50000000 1.0 P P32 1 0.48432898 0.17181698 0.50000000 1.0 P P33 1 0.63622425 0.99847096 0.00000000 1.0 P P34 1 0.99847096 0.63622425 0.00000000 1.0 P P35 1 0.36522903 0.36522903 0.00000000 1.0