# generated using pymatgen data_ScCo5P3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57909000 _cell_length_b 10.16641700 _cell_length_c 11.61734800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCo5P3 _chemical_formula_sum 'Sc4 Co20 P12' _cell_volume 422.71488185 _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 0.58223700 0.70323600 1.0 Sc Sc1 1 0.25000000 0.91776300 0.20323600 1.0 Sc Sc2 1 0.75000000 0.41776300 0.29676400 1.0 Sc Sc3 1 0.75000000 0.08223700 0.79676400 1.0 Co Co4 1 0.25000000 0.71774800 0.99091900 1.0 Co Co5 1 0.25000000 0.78225200 0.49091900 1.0 Co Co6 1 0.75000000 0.28225200 0.00908100 1.0 Co Co7 1 0.75000000 0.21774800 0.50908100 1.0 Co Co8 1 0.25000000 0.40826800 0.48559700 1.0 Co Co9 1 0.25000000 0.09173200 0.98559700 1.0 Co Co10 1 0.75000000 0.59173200 0.51440300 1.0 Co Co11 1 0.75000000 0.90826800 0.01440300 1.0 Co Co12 1 0.25000000 0.22099100 0.17655500 1.0 Co Co13 1 0.25000000 0.27901000 0.67655500 1.0 Co Co14 1 0.75000000 0.77901000 0.82344500 1.0 Co Co15 1 0.75000000 0.72099000 0.32344500 1.0 Co Co16 1 0.25000000 0.88328900 0.69921500 1.0 Co Co17 1 0.25000000 0.61671100 0.19921500 1.0 Co Co18 1 0.75000000 0.11671100 0.30078500 1.0 Co Co19 1 0.75000000 0.38328900 0.80078500 1.0 Co Co20 1 0.25000000 0.46680400 0.93118300 1.0 Co Co21 1 0.25000000 0.03319600 0.43118300 1.0 Co Co22 1 0.75000000 0.53319600 0.06881700 1.0 Co Co23 1 0.75000000 0.96680400 0.56881700 1.0 P P24 1 0.25000000 0.41832700 0.11421600 1.0 P P25 1 0.25000000 0.08167300 0.61421600 1.0 P P26 1 0.75000000 0.58167300 0.88578400 1.0 P P27 1 0.75000000 0.91832700 0.38578400 1.0 P P28 1 0.25000000 0.26651100 0.86907200 1.0 P P29 1 0.25000000 0.23348900 0.36907200 1.0 P P30 1 0.75000000 0.73348900 0.13092800 1.0 P P31 1 0.75000000 0.76651100 0.63092800 1.0 P P32 1 0.25000000 0.59847300 0.38942400 1.0 P P33 1 0.25000000 0.90152700 0.88942400 1.0 P P34 1 0.75000000 0.40152700 0.61057600 1.0 P P35 1 0.75000000 0.09847300 0.11057600 1.0