# generated using pymatgen data_Mg3Sc2Co19P12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.69149770 _cell_length_b 11.69149731 _cell_length_c 3.56905008 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000383 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg3Sc2Co19P12 _chemical_formula_sum 'Mg3 Sc2 Co19 P12' _cell_volume 422.49691189 _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 Mg Mg0 1 0.81772854 0.00000000 0.00000000 1.0 Mg Mg1 1 0.00000000 0.81772854 0.00000000 1.0 Mg Mg2 1 0.18227146 0.18227146 0.00000000 1.0 Sc Sc3 1 0.33333300 0.66666700 0.50000000 1.0 Sc Sc4 1 0.66666700 0.33333300 0.50000000 1.0 Co Co5 1 0.62499794 0.80347489 0.50000000 1.0 Co Co6 1 0.19652511 0.82152405 0.50000000 1.0 Co Co7 1 0.17847595 0.37500206 0.50000000 1.0 Co Co8 1 0.37500206 0.17847595 0.50000000 1.0 Co Co9 1 0.80347489 0.62499794 0.50000000 1.0 Co Co10 1 0.82152405 0.19652511 0.50000000 1.0 Co Co11 1 0.28274199 0.00000000 0.00000000 1.0 Co Co12 1 0.00000000 0.28274199 0.00000000 1.0 Co Co13 1 0.71725801 0.71725801 0.00000000 1.0 Co Co14 1 0.44806506 1.00000000 0.50000000 1.0 Co Co15 1 1.00000000 0.44806506 0.50000000 1.0 Co Co16 1 0.55193494 0.55193494 0.50000000 1.0 Co Co17 1 0.51672061 0.87317748 0.00000000 1.0 Co Co18 1 0.12682252 0.64354313 0.00000000 1.0 Co Co19 1 0.35645687 0.48327939 0.00000000 1.0 Co Co20 1 0.48327939 0.35645687 0.00000000 1.0 Co Co21 1 0.87317748 0.51672061 0.00000000 1.0 Co Co22 1 0.64354313 0.12682252 0.00000000 1.0 Co Co23 1 0.00000000 0.00000000 0.50000000 1.0 P P24 1 0.17768583 0.00000000 0.50000000 1.0 P P25 1 1.00000000 0.17768583 0.50000000 1.0 P P26 1 0.82231417 0.82231417 0.50000000 1.0 P P27 1 0.51770081 0.68443503 0.00000000 1.0 P P28 1 0.31556497 0.83326578 0.00000000 1.0 P P29 1 0.16673422 0.48229919 0.00000000 1.0 P P30 1 0.48229919 0.16673422 0.00000000 1.0 P P31 1 0.68443503 0.51770081 0.00000000 1.0 P P32 1 0.83326578 0.31556497 0.00000000 1.0 P P33 1 0.63641707 0.00000000 0.50000000 1.0 P P34 1 0.00000000 0.63641707 0.50000000 1.0 P P35 1 0.36358293 0.36358293 0.50000000 1.0