# generated using pymatgen data_Th4Co9P12Ru11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.82791328 _cell_length_b 10.61860459 _cell_length_c 12.14158712 _cell_angle_alpha 89.87930087 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th4Co9P12Ru11 _chemical_formula_sum 'Th4 Co9 P12 Ru11' _cell_volume 493.51918016 _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 Th Th0 1 0.25000000 0.58351233 0.70580117 1.0 Th Th1 1 0.25000000 0.91367650 0.20771415 1.0 Th Th2 1 0.75000000 0.41838430 0.29405035 1.0 Th Th3 1 0.75000000 0.08301096 0.79383285 1.0 Co Co4 1 0.75000000 0.72757205 0.32415579 1.0 Co Co5 1 0.25000000 0.88686518 0.69710488 1.0 Co Co6 1 0.25000000 0.61795562 0.20060181 1.0 Co Co7 1 0.75000000 0.11085516 0.30147506 1.0 Co Co8 1 0.75000000 0.38801590 0.80149112 1.0 Co Co9 1 0.25000000 0.46325018 0.93425756 1.0 Co Co10 1 0.25000000 0.03597389 0.43297262 1.0 Co Co11 1 0.75000000 0.53479581 0.06654607 1.0 Co Co12 1 0.75000000 0.96382320 0.56479963 1.0 P P13 1 0.25000000 0.42888951 0.10951417 1.0 P P14 1 0.25000000 0.07226366 0.60782809 1.0 P P15 1 0.75000000 0.57288561 0.89220129 1.0 P P16 1 0.75000000 0.92355999 0.39068647 1.0 P P17 1 0.25000000 0.27761565 0.86879041 1.0 P P18 1 0.25000000 0.22254092 0.36881909 1.0 P P19 1 0.75000000 0.71984094 0.13706687 1.0 P P20 1 0.75000000 0.77813278 0.63066408 1.0 P P21 1 0.25000000 0.60879267 0.38821835 1.0 P P22 1 0.25000000 0.89280698 0.89088168 1.0 P P23 1 0.75000000 0.39474696 0.60833487 1.0 P P24 1 0.75000000 0.10518896 0.11044756 1.0 Ru Ru25 1 0.25000000 0.70430747 0.98922512 1.0 Ru Ru26 1 0.25000000 0.79618027 0.48451144 1.0 Ru Ru27 1 0.75000000 0.29368809 0.01075083 1.0 Ru Ru28 1 0.75000000 0.20563392 0.50989497 1.0 Ru Ru29 1 0.25000000 0.40485382 0.48382067 1.0 Ru Ru30 1 0.25000000 0.09544695 0.98492672 1.0 Ru Ru31 1 0.75000000 0.59951071 0.51231999 1.0 Ru Ru32 1 0.75000000 0.90107575 0.01855678 1.0 Ru Ru33 1 0.25000000 0.22596889 0.17766148 1.0 Ru Ru34 1 0.25000000 0.27409144 0.67721566 1.0 Ru Ru35 1 0.75000000 0.77428498 0.82285934 1.0