# generated using pymatgen data_Sm3SiBr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.22678650 _cell_length_b 10.22678705 _cell_length_c 10.22678670 _cell_angle_alpha 109.47122188 _cell_angle_beta 109.47122296 _cell_angle_gamma 109.47121723 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm3SiBr3 _chemical_formula_sum 'Sm12 Si4 Br12' _cell_volume 823.37126897 _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 Sm Sm0 1 0.47798535 0.48899168 0.23899168 1.0 Sm Sm1 1 0.75000000 0.23899168 0.26100832 1.0 Sm Sm2 1 0.75000000 0.01100832 0.48899168 1.0 Sm Sm3 1 0.23899168 0.47798535 0.48899168 1.0 Sm Sm4 1 0.26100832 0.75000000 0.23899168 1.0 Sm Sm5 1 0.02201465 0.26100832 0.01100832 1.0 Sm Sm6 1 0.01100832 0.02201465 0.26100832 1.0 Sm Sm7 1 0.48899168 0.75000000 0.01100832 1.0 Sm Sm8 1 0.48899168 0.23899168 0.47798535 1.0 Sm Sm9 1 0.01100832 0.48899168 0.75000000 1.0 Sm Sm10 1 0.26100832 0.01100832 0.02201465 1.0 Sm Sm11 1 0.23899168 0.26100832 0.75000000 1.0 Si Si12 1 0.25000000 0.25000000 0.25000000 1.0 Si Si13 1 0.50000000 0.00000000 0.25000000 1.0 Si Si14 1 0.00000000 0.25000000 0.50000000 1.0 Si Si15 1 0.25000000 0.50000000 0.00000000 1.0 Br Br16 1 0.25000000 0.75541573 0.74458427 1.0 Br Br17 1 0.51083046 0.50541573 0.75541573 1.0 Br Br18 1 0.98916854 0.74458427 0.99458427 1.0 Br Br19 1 0.74458427 0.25000000 0.75541573 1.0 Br Br20 1 0.99458427 0.98916854 0.74458427 1.0 Br Br21 1 0.25000000 0.99458427 0.50541573 1.0 Br Br22 1 0.75541573 0.51083046 0.50541573 1.0 Br Br23 1 0.50541573 0.25000000 0.99458427 1.0 Br Br24 1 0.75541573 0.74458427 0.25000000 1.0 Br Br25 1 0.74458427 0.99458427 0.98916954 1.0 Br Br26 1 0.99458427 0.50541573 0.25000000 1.0 Br Br27 1 0.50541573 0.75541573 0.51083046 1.0