# generated using pymatgen data_SmDy3C2Br3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69878375 _cell_length_b 10.74722209 _cell_length_c 20.56618345 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmDy3C2Br3 _chemical_formula_sum 'Sm4 Dy12 C8 Br12' _cell_volume 817.53973545 _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 0.25000000 0.86538652 0.57866202 1.0 Sm Sm1 1 0.75000000 0.13461348 0.42133798 1.0 Sm Sm2 1 0.75000000 0.63461348 0.07866202 1.0 Sm Sm3 1 0.25000000 0.36538652 0.92133798 1.0 Dy Dy4 1 0.25000000 0.86761836 0.74389636 1.0 Dy Dy5 1 0.75000000 0.13238164 0.25610364 1.0 Dy Dy6 1 0.75000000 0.63238164 0.24389636 1.0 Dy Dy7 1 0.25000000 0.36761836 0.75610364 1.0 Dy Dy8 1 0.25000000 0.86765064 0.17028396 1.0 Dy Dy9 1 0.75000000 0.13234936 0.82971604 1.0 Dy Dy10 1 0.75000000 0.63234936 0.67028396 1.0 Dy Dy11 1 0.25000000 0.36765064 0.32971604 1.0 Dy Dy12 1 0.25000000 0.89872190 0.32833303 1.0 Dy Dy13 1 0.75000000 0.10127810 0.67166697 1.0 Dy Dy14 1 0.75000000 0.60127810 0.82833303 1.0 Dy Dy15 1 0.25000000 0.39872190 0.17166697 1.0 C C16 1 0.25000000 0.61585009 0.75102623 1.0 C C17 1 0.75000000 0.38414991 0.24897377 1.0 C C18 1 0.75000000 0.88414991 0.25102623 1.0 C C19 1 0.25000000 0.11585009 0.74897377 1.0 C C20 1 0.25000000 0.63229656 0.15781875 1.0 C C21 1 0.75000000 0.36770344 0.84218125 1.0 C C22 1 0.75000000 0.86770344 0.65781875 1.0 C C23 1 0.25000000 0.13229656 0.34218125 1.0 Br Br24 1 0.25000000 0.60595852 0.55809063 1.0 Br Br25 1 0.75000000 0.39404148 0.44190937 1.0 Br Br26 1 0.75000000 0.89404148 0.05809063 1.0 Br Br27 1 0.25000000 0.10595852 0.94190937 1.0 Br Br28 1 0.25000000 0.63353998 0.95077438 1.0 Br Br29 1 0.75000000 0.36646002 0.04922562 1.0 Br Br30 1 0.75000000 0.86646002 0.45077438 1.0 Br Br31 1 0.25000000 0.13353998 0.54922562 1.0 Br Br32 1 0.25000000 0.63475500 0.35513388 1.0 Br Br33 1 0.75000000 0.36524500 0.64486612 1.0 Br Br34 1 0.75000000 0.86524500 0.85513388 1.0 Br Br35 1 0.25000000 0.13475500 0.14486612 1.0