# generated using pymatgen data_Tm2Pu3(SiB4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.19511885 _cell_length_b 7.19511854 _cell_length_c 8.06243135 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.96011524 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm2Pu3(SiB4)2 _chemical_formula_sum 'Tm4 Pu6 Si4 B16' _cell_volume 417.38981756 _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 0.18162477 0.31837523 0.77959056 1.0 Tm Tm1 1 0.18162477 0.31837523 0.22040944 1.0 Tm Tm2 1 0.99768975 0.99701233 0.50000000 1.0 Tm Tm3 1 0.50298767 0.50231025 0.50000000 1.0 Pu Pu4 1 0.68145268 0.18132307 0.23130908 1.0 Pu Pu5 1 0.31867693 0.81854732 0.76869092 1.0 Pu Pu6 1 0.31867693 0.81854732 0.23130908 1.0 Pu Pu7 1 0.81793593 0.68206407 0.23115682 1.0 Pu Pu8 1 0.81793593 0.68206407 0.76884318 1.0 Pu Pu9 1 0.68145268 0.18132307 0.76869092 1.0 Si Si10 1 0.11837358 0.61131748 0.50000000 1.0 Si Si11 1 0.88868252 0.38162642 0.50000000 1.0 Si Si12 1 0.37842786 0.12157214 0.50000000 1.0 Si Si13 1 0.61102839 0.88897161 0.50000000 1.0 B B14 1 0.17286091 0.03839380 0.00000000 1.0 B B15 1 0.82685715 0.96040774 0.00000000 1.0 B B16 1 0.95981129 0.17188668 0.00000000 1.0 B B17 1 0.32811332 0.54018871 0.00000000 1.0 B B18 1 0.04017061 0.82614863 0.00000000 1.0 B B19 1 0.67385137 0.45982939 0.00000000 1.0 B B20 1 0.53959226 0.67314285 0.00000000 1.0 B B21 1 0.46160620 0.32713909 0.00000000 1.0 B B22 1 0.09102490 0.58876387 0.00000000 1.0 B B23 1 0.91123613 0.40897510 0.00000000 1.0 B B24 1 0.40860458 0.09139542 0.00000000 1.0 B B25 1 0.59005221 0.90994779 0.00000000 1.0 B B26 1 0.99934622 0.99952089 0.16200919 1.0 B B27 1 0.99934622 0.99952089 0.83799081 1.0 B B28 1 0.50047911 0.50065378 0.83799081 1.0 B B29 1 0.50047911 0.50065378 0.16200919 1.0