# generated using pymatgen data_Er2Pu3(SiB4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.20493427 _cell_length_b 7.20493490 _cell_length_c 8.08448129 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.94421563 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er2Pu3(SiB4)2 _chemical_formula_sum 'Er4 Pu6 Si4 B16' _cell_volume 419.67397521 _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 Er Er0 1 0.18151026 0.31848974 0.77902902 1.0 Er Er1 1 0.18151026 0.31848974 0.22097098 1.0 Er Er2 1 0.99730465 0.99649295 0.50000000 1.0 Er Er3 1 0.50350705 0.50269535 0.50000000 1.0 Pu Pu4 1 0.68143975 0.18131207 0.23089020 1.0 Pu Pu5 1 0.31868793 0.81856025 0.76910980 1.0 Pu Pu6 1 0.31868793 0.81856025 0.23089020 1.0 Pu Pu7 1 0.81795904 0.68204096 0.23072482 1.0 Pu Pu8 1 0.81795904 0.68204096 0.76927518 1.0 Pu Pu9 1 0.68143975 0.18131207 0.76910980 1.0 Si Si10 1 0.11807002 0.61133063 0.50000000 1.0 Si Si11 1 0.88866937 0.38192998 0.50000000 1.0 Si Si12 1 0.37890955 0.12109045 0.50000000 1.0 Si Si13 1 0.61074666 0.88925334 0.50000000 1.0 B B14 1 0.17274230 0.03810814 0.00000000 1.0 B B15 1 0.82670606 0.96023414 0.00000000 1.0 B B16 1 0.95949109 0.17172783 0.00000000 1.0 B B17 1 0.32827217 0.54050891 0.00000000 1.0 B B18 1 0.04011158 0.82596908 0.00000000 1.0 B B19 1 0.67403092 0.45988842 0.00000000 1.0 B B20 1 0.53976586 0.67329394 0.00000000 1.0 B B21 1 0.46189186 0.32725770 0.00000000 1.0 B B22 1 0.09102047 0.58895814 0.00000000 1.0 B B23 1 0.91104186 0.40897953 0.00000000 1.0 B B24 1 0.40861299 0.09138701 0.00000000 1.0 B B25 1 0.59005269 0.90994731 0.00000000 1.0 B B26 1 0.99914792 0.99921898 0.16137764 1.0 B B27 1 0.99914792 0.99921898 0.83862236 1.0 B B28 1 0.50078102 0.50085208 0.83862236 1.0 B B29 1 0.50078102 0.50085208 0.16137764 1.0