# generated using pymatgen data_LiScCo4P3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59490397 _cell_length_b 10.03013365 _cell_length_c 11.68301931 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiScCo4P3 _chemical_formula_sum 'Li4 Sc4 Co16 P12' _cell_volume 421.25891869 _cell_formula_units_Z 4 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 0.70303162 0.99283790 1.0 Li Li1 1 0.25000000 0.79696838 0.49283790 1.0 Li Li2 1 0.75000000 0.29696838 0.00716210 1.0 Li Li3 1 0.75000000 0.20303162 0.50716210 1.0 Sc Sc4 1 0.25000000 0.57545251 0.70224817 1.0 Sc Sc5 1 0.25000000 0.92454749 0.20224817 1.0 Sc Sc6 1 0.75000000 0.42454749 0.29775183 1.0 Sc Sc7 1 0.75000000 0.07545251 0.79775183 1.0 Co Co8 1 0.25000000 0.40652300 0.48186924 1.0 Co Co9 1 0.25000000 0.09347700 0.98186924 1.0 Co Co10 1 0.75000000 0.59347700 0.51813076 1.0 Co Co11 1 0.75000000 0.90652300 0.01813076 1.0 Co Co12 1 0.25000000 0.22376520 0.17239667 1.0 Co Co13 1 0.25000000 0.27623480 0.67239667 1.0 Co Co14 1 0.75000000 0.77623480 0.82760333 1.0 Co Co15 1 0.75000000 0.72376520 0.32760333 1.0 Co Co16 1 0.25000000 0.87710220 0.70144992 1.0 Co Co17 1 0.25000000 0.62289780 0.20144992 1.0 Co Co18 1 0.75000000 0.12289780 0.29855008 1.0 Co Co19 1 0.75000000 0.37710220 0.79855008 1.0 Co Co20 1 0.25000000 0.46232996 0.93193466 1.0 Co Co21 1 0.25000000 0.03767004 0.43193466 1.0 Co Co22 1 0.75000000 0.53767004 0.06806534 1.0 Co Co23 1 0.75000000 0.96232996 0.56806534 1.0 P P24 1 0.25000000 0.42714585 0.11750509 1.0 P P25 1 0.25000000 0.07285415 0.61750509 1.0 P P26 1 0.75000000 0.57285415 0.88249491 1.0 P P27 1 0.75000000 0.92714585 0.38249491 1.0 P P28 1 0.25000000 0.26248909 0.85845581 1.0 P P29 1 0.25000000 0.23751091 0.35845581 1.0 P P30 1 0.75000000 0.73751091 0.14154419 1.0 P P31 1 0.75000000 0.76248909 0.64154419 1.0 P P32 1 0.25000000 0.60038158 0.39191604 1.0 P P33 1 0.25000000 0.89961842 0.89191604 1.0 P P34 1 0.75000000 0.39961842 0.60808396 1.0 P P35 1 0.75000000 0.10038158 0.10808396 1.0