# generated using pymatgen data_TbCo2(PRu)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.78091561 _cell_length_b 10.53626887 _cell_length_c 12.01785860 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbCo2(PRu)3 _chemical_formula_sum 'Tb4 Co8 P12 Ru12' _cell_volume 478.75234920 _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 Tb Tb0 1 0.25000000 0.58426742 0.70693068 1.0 Tb Tb1 1 0.25000000 0.91573258 0.20693068 1.0 Tb Tb2 1 0.75000000 0.41573258 0.29306932 1.0 Tb Tb3 1 0.75000000 0.08426742 0.79306932 1.0 Co Co4 1 0.25000000 0.88733444 0.69672218 1.0 Co Co5 1 0.25000000 0.61266556 0.19672218 1.0 Co Co6 1 0.75000000 0.11266556 0.30327782 1.0 Co Co7 1 0.75000000 0.38733444 0.80327782 1.0 Co Co8 1 0.25000000 0.46264376 0.93427517 1.0 Co Co9 1 0.25000000 0.03735624 0.43427517 1.0 Co Co10 1 0.75000000 0.53735624 0.06572483 1.0 Co Co11 1 0.75000000 0.96264376 0.56572483 1.0 P P12 1 0.25000000 0.42664471 0.11187549 1.0 P P13 1 0.25000000 0.07335529 0.61187549 1.0 P P14 1 0.75000000 0.57335529 0.88812451 1.0 P P15 1 0.75000000 0.92664471 0.38812451 1.0 P P16 1 0.25000000 0.27189703 0.87139583 1.0 P P17 1 0.25000000 0.22810297 0.37139583 1.0 P P18 1 0.75000000 0.72810297 0.12860417 1.0 P P19 1 0.75000000 0.77189703 0.62860417 1.0 P P20 1 0.25000000 0.60286016 0.38745236 1.0 P P21 1 0.25000000 0.89713984 0.88745236 1.0 P P22 1 0.75000000 0.39713984 0.61254764 1.0 P P23 1 0.75000000 0.10286016 0.11254764 1.0 Ru Ru24 1 0.25000000 0.70553417 0.98739098 1.0 Ru Ru25 1 0.25000000 0.79446583 0.48739098 1.0 Ru Ru26 1 0.75000000 0.29446583 0.01260902 1.0 Ru Ru27 1 0.75000000 0.20553417 0.51260902 1.0 Ru Ru28 1 0.25000000 0.40515860 0.48633749 1.0 Ru Ru29 1 0.25000000 0.09484140 0.98633749 1.0 Ru Ru30 1 0.75000000 0.59484140 0.51366251 1.0 Ru Ru31 1 0.75000000 0.90515860 0.01366251 1.0 Ru Ru32 1 0.25000000 0.22440481 0.18015307 1.0 Ru Ru33 1 0.25000000 0.27559519 0.68015307 1.0 Ru Ru34 1 0.75000000 0.77559519 0.81984693 1.0 Ru Ru35 1 0.75000000 0.72440481 0.31984693 1.0