# generated using pymatgen data_Tm3Co8P6Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64775104 _cell_length_b 10.40267845 _cell_length_c 12.07314512 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm3Co8P6Ru _chemical_formula_sum 'Tm6 Co16 P12 Ru2' _cell_volume 458.13216664 _cell_formula_units_Z 2 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 Tm Tm0 1 0.00000000 0.50000000 0.52638125 1.0 Tm Tm1 1 0.50000000 0.00000000 0.47361875 1.0 Tm Tm2 1 0.50000000 0.81751857 0.20703624 1.0 Tm Tm3 1 0.50000000 0.18248143 0.20703624 1.0 Tm Tm4 1 0.00000000 0.68248143 0.79296376 1.0 Tm Tm5 1 0.00000000 0.31751857 0.79296376 1.0 Co Co6 1 0.50000000 0.50000000 0.70367980 1.0 Co Co7 1 0.00000000 0.00000000 0.29632020 1.0 Co Co8 1 0.00000000 0.50000000 0.98605876 1.0 Co Co9 1 0.50000000 0.00000000 0.01394124 1.0 Co Co10 1 0.50000000 0.33257564 0.99026703 1.0 Co Co11 1 0.50000000 0.66742436 0.99026703 1.0 Co Co12 1 0.00000000 0.16742436 0.00973297 1.0 Co Co13 1 0.00000000 0.83257564 0.00973297 1.0 Co Co14 1 0.50000000 0.29737802 0.43133927 1.0 Co Co15 1 0.50000000 0.70262198 0.43133927 1.0 Co Co16 1 0.00000000 0.20262198 0.56866073 1.0 Co Co17 1 0.00000000 0.79737802 0.56866073 1.0 Co Co18 1 0.50000000 0.87860926 0.70742417 1.0 Co Co19 1 0.50000000 0.12139074 0.70742417 1.0 Co Co20 1 0.00000000 0.62139074 0.29257583 1.0 Co Co21 1 0.00000000 0.37860926 0.29257583 1.0 P P22 1 0.50000000 0.50000000 0.88087457 1.0 P P23 1 0.00000000 0.00000000 0.11912543 1.0 P P24 1 0.50000000 0.50000000 0.35235863 1.0 P P25 1 0.00000000 0.00000000 0.64764137 1.0 P P26 1 0.50000000 0.31280149 0.61661167 1.0 P P27 1 0.50000000 0.68719851 0.61661167 1.0 P P28 1 0.00000000 0.18719851 0.38338833 1.0 P P29 1 0.00000000 0.81280149 0.38338833 1.0 P P30 1 0.50000000 0.84576236 0.89306168 1.0 P P31 1 0.50000000 0.15423764 0.89306168 1.0 P P32 1 0.00000000 0.65423764 0.10693832 1.0 P P33 1 0.00000000 0.34576236 0.10693832 1.0 Ru Ru34 1 0.50000000 0.50000000 0.16071167 1.0 Ru Ru35 1 0.00000000 0.00000000 0.83928833 1.0