# generated using pymatgen data_ScCrCo4P3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57153057 _cell_length_b 10.16172311 _cell_length_c 11.66794517 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCrCo4P3 _chemical_formula_sum 'Sc4 Cr4 Co16 P12' _cell_volume 423.46362210 _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 Sc Sc0 1 0.25000000 0.58204441 0.70801404 1.0 Sc Sc1 1 0.25000000 0.91795559 0.20801404 1.0 Sc Sc2 1 0.75000000 0.41795559 0.29198596 1.0 Sc Sc3 1 0.75000000 0.08204441 0.79198596 1.0 Cr Cr4 1 0.25000000 0.70939103 0.99110237 1.0 Cr Cr5 1 0.25000000 0.79060897 0.49110237 1.0 Cr Cr6 1 0.75000000 0.29060897 0.00889763 1.0 Cr Cr7 1 0.75000000 0.20939103 0.50889763 1.0 Co Co8 1 0.25000000 0.40637469 0.48690231 1.0 Co Co9 1 0.25000000 0.09362531 0.98690231 1.0 Co Co10 1 0.75000000 0.59362531 0.51309769 1.0 Co Co11 1 0.75000000 0.90637469 0.01309769 1.0 Co Co12 1 0.25000000 0.22221423 0.17388524 1.0 Co Co13 1 0.25000000 0.27778677 0.67388524 1.0 Co Co14 1 0.75000000 0.77778677 0.82611476 1.0 Co Co15 1 0.75000000 0.72221323 0.32611476 1.0 Co Co16 1 0.25000000 0.88327508 0.70238925 1.0 Co Co17 1 0.25000000 0.61672492 0.20238925 1.0 Co Co18 1 0.75000000 0.11672492 0.29761075 1.0 Co Co19 1 0.75000000 0.38327508 0.79761075 1.0 Co Co20 1 0.25000000 0.46170644 0.93012690 1.0 Co Co21 1 0.25000000 0.03829356 0.43012690 1.0 Co Co22 1 0.75000000 0.53829356 0.06987310 1.0 Co Co23 1 0.75000000 0.96170644 0.56987310 1.0 P P24 1 0.25000000 0.42225756 0.11454084 1.0 P P25 1 0.25000000 0.07774244 0.61454084 1.0 P P26 1 0.75000000 0.57774244 0.88545916 1.0 P P27 1 0.75000000 0.92225756 0.38545916 1.0 P P28 1 0.25000000 0.26480265 0.86220136 1.0 P P29 1 0.25000000 0.23519735 0.36220136 1.0 P P30 1 0.75000000 0.73519735 0.13779864 1.0 P P31 1 0.75000000 0.76480265 0.63779864 1.0 P P32 1 0.25000000 0.59167899 0.38810876 1.0 P P33 1 0.25000000 0.90832101 0.88810876 1.0 P P34 1 0.75000000 0.40832101 0.61189124 1.0 P P35 1 0.75000000 0.09167899 0.11189124 1.0