# generated using pymatgen data_ScCo4MoP3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61734236 _cell_length_b 10.20438860 _cell_length_c 11.66394508 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCo4MoP3 _chemical_formula_sum 'Sc4 Co16 Mo4 P12' _cell_volume 430.54848890 _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 0.58232846 0.70463458 1.0 Sc Sc1 1 0.25000000 0.91767154 0.20463458 1.0 Sc Sc2 1 0.75000000 0.41767154 0.29536542 1.0 Sc Sc3 1 0.75000000 0.08232846 0.79536542 1.0 Co Co4 1 0.25000000 0.40748988 0.48645771 1.0 Co Co5 1 0.25000000 0.09251012 0.98645771 1.0 Co Co6 1 0.75000000 0.59251012 0.51354229 1.0 Co Co7 1 0.75000000 0.90748988 0.01354229 1.0 Co Co8 1 0.25000000 0.22154178 0.17824161 1.0 Co Co9 1 0.25000000 0.27845922 0.67824161 1.0 Co Co10 1 0.75000000 0.77845922 0.82175839 1.0 Co Co11 1 0.75000000 0.72154078 0.32175839 1.0 Co Co12 1 0.25000000 0.88777058 0.70147337 1.0 Co Co13 1 0.25000000 0.61222942 0.20147337 1.0 Co Co14 1 0.75000000 0.11222942 0.29852663 1.0 Co Co15 1 0.75000000 0.38777058 0.79852663 1.0 Co Co16 1 0.25000000 0.46548919 0.93198744 1.0 Co Co17 1 0.25000000 0.03451081 0.43198744 1.0 Co Co18 1 0.75000000 0.53451081 0.06801256 1.0 Co Co19 1 0.75000000 0.96548919 0.56801256 1.0 Mo Mo20 1 0.25000000 0.71059693 0.98787715 1.0 Mo Mo21 1 0.25000000 0.78940307 0.48787715 1.0 Mo Mo22 1 0.75000000 0.28940307 0.01212285 1.0 Mo Mo23 1 0.75000000 0.21059693 0.51212285 1.0 P P24 1 0.25000000 0.42053283 0.11801967 1.0 P P25 1 0.25000000 0.07946717 0.61801967 1.0 P P26 1 0.75000000 0.57946717 0.88198033 1.0 P P27 1 0.75000000 0.92053283 0.38198033 1.0 P P28 1 0.25000000 0.26460871 0.86342884 1.0 P P29 1 0.25000000 0.23539129 0.36342884 1.0 P P30 1 0.75000000 0.73539129 0.13657116 1.0 P P31 1 0.75000000 0.76460871 0.63657116 1.0 P P32 1 0.25000000 0.59284110 0.38914131 1.0 P P33 1 0.25000000 0.90715890 0.88914131 1.0 P P34 1 0.75000000 0.40715890 0.61085869 1.0 P P35 1 0.75000000 0.09284110 0.11085869 1.0