# generated using pymatgen data_Sm4C4Br3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16645439 _cell_length_b 10.97591956 _cell_length_c 11.02931051 _cell_angle_alpha 103.36905193 _cell_angle_beta 90.37538100 _cell_angle_gamma 94.36169165 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm4C4Br3 _chemical_formula_sum 'Sm8 C8 Br6' _cell_volume 489.13690897 _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 Sm Sm0 1 0.61924281 0.17082731 0.01777217 1.0 Sm Sm1 1 0.23228505 0.36213961 0.83099438 1.0 Sm Sm2 1 0.38075719 0.82917269 0.98222783 1.0 Sm Sm3 1 0.62223123 0.17559024 0.56410029 1.0 Sm Sm4 1 0.97559333 0.97740264 0.24379710 1.0 Sm Sm5 1 0.02440667 0.02259736 0.75620290 1.0 Sm Sm6 1 0.76771495 0.63786039 0.16900562 1.0 Sm Sm7 1 0.37776877 0.82440976 0.43589971 1.0 C C8 1 0.51021189 0.84676872 0.21341877 1.0 C C9 1 0.86956697 0.96145063 0.99904327 1.0 C C10 1 0.24373744 0.76301296 0.19295146 1.0 C C11 1 0.13043303 0.03854937 0.00095673 1.0 C C12 1 0.12959464 0.03850193 0.51577633 1.0 C C13 1 0.87040536 0.96149807 0.48422367 1.0 C C14 1 0.75626256 0.23698704 0.80704854 1.0 C C15 1 0.48978811 0.15323128 0.78658123 1.0 Br Br16 1 0.19592313 0.38829140 0.58005742 1.0 Br Br17 1 0.21468289 0.40538685 0.10920051 1.0 Br Br18 1 0.78531711 0.59461315 0.89079949 1.0 Br Br19 1 0.58929539 0.20481396 0.29629618 1.0 Br Br20 1 0.41070461 0.79518604 0.70370382 1.0 Br Br21 1 0.80407687 0.61170860 0.41994258 1.0