# generated using pymatgen data_Sm5Br11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.03953252 _cell_length_b 7.52125711 _cell_length_c 36.12403789 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.91339968 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm5Br11 _chemical_formula_sum 'Sm20 Br44' _cell_volume 1912.62596441 _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 0.46764151 0.84834396 0.44427999 1.0 Sm Sm1 1 0.02128175 0.72090659 0.15363909 1.0 Sm Sm2 1 0.97871825 0.27909341 0.65363909 1.0 Sm Sm3 1 0.53235849 0.15165604 0.55572001 1.0 Sm Sm4 1 0.01612372 0.33129970 0.25000000 1.0 Sm Sm5 1 0.98387628 0.66870030 0.75000000 1.0 Sm Sm6 1 0.53377691 0.77270176 0.65423847 1.0 Sm Sm7 1 0.46764151 0.84834396 0.05572001 1.0 Sm Sm8 1 0.53377691 0.77270176 0.84576153 1.0 Sm Sm9 1 0.52031486 0.15981514 0.75000000 1.0 Sm Sm10 1 0.02907335 0.34632891 0.05648427 1.0 Sm Sm11 1 0.47968514 0.84018486 0.25000000 1.0 Sm Sm12 1 0.46622309 0.22729824 0.15423847 1.0 Sm Sm13 1 0.53235849 0.15165604 0.94427999 1.0 Sm Sm14 1 0.02907335 0.34632891 0.44351573 1.0 Sm Sm15 1 0.46622309 0.22729824 0.34576153 1.0 Sm Sm16 1 0.97092665 0.65367109 0.94351573 1.0 Sm Sm17 1 0.97092665 0.65367109 0.55648427 1.0 Sm Sm18 1 0.02128175 0.72090659 0.34636091 1.0 Sm Sm19 1 0.97871825 0.27909341 0.84636091 1.0 Br Br20 1 0.32739433 0.83448004 0.58359468 1.0 Br Br21 1 0.18302988 0.33788574 0.58329194 1.0 Br Br22 1 0.81638651 0.97322745 0.79824415 1.0 Br Br23 1 0.68304881 0.46348947 0.60411143 1.0 Br Br24 1 0.18361349 0.02677255 0.20175585 1.0 Br Br25 1 0.81697012 0.66211426 0.08329194 1.0 Br Br26 1 0.68304881 0.46348947 0.89588857 1.0 Br Br27 1 0.26284251 0.10939021 0.49207962 1.0 Br Br28 1 0.85353195 0.37142742 0.17087099 1.0 Br Br29 1 0.14646805 0.62857258 0.82912901 1.0 Br Br30 1 0.81697012 0.66211426 0.41670806 1.0 Br Br31 1 0.18361349 0.02677255 0.29824415 1.0 Br Br32 1 0.82440535 0.96656336 0.60416852 1.0 Br Br33 1 0.86915392 0.69125207 0.25000000 1.0 Br Br34 1 0.13084608 0.30874793 0.75000000 1.0 Br Br35 1 0.23449838 0.60793239 0.49192352 1.0 Br Br36 1 0.35583834 0.11891214 0.82854271 1.0 Br Br37 1 0.73715749 0.89060979 0.99207962 1.0 Br Br38 1 0.69262521 0.46782235 0.70194648 1.0 Br Br39 1 0.76550162 0.39206761 0.99192352 1.0 Br Br40 1 0.85353195 0.37142742 0.32912901 1.0 Br Br41 1 0.67260567 0.16551996 0.41640532 1.0 Br Br42 1 0.35583834 0.11891214 0.67145729 1.0 Br Br43 1 0.30737479 0.53217765 0.20194648 1.0 Br Br44 1 0.76550162 0.39206761 0.50807648 1.0 Br Br45 1 0.69262521 0.46782235 0.79805352 1.0 Br Br46 1 0.73715749 0.89060979 0.50792038 1.0 Br Br47 1 0.38612578 0.79474592 0.75000000 1.0 Br Br48 1 0.61387422 0.20525408 0.25000000 1.0 Br Br49 1 0.26284251 0.10939021 0.00792038 1.0 Br Br50 1 0.67260567 0.16551996 0.08359468 1.0 Br Br51 1 0.23449838 0.60793239 0.00807648 1.0 Br Br52 1 0.64416166 0.88108786 0.32854271 1.0 Br Br53 1 0.64416166 0.88108786 0.17145729 1.0 Br Br54 1 0.17559465 0.03343664 0.39583148 1.0 Br Br55 1 0.14646805 0.62857258 0.67087099 1.0 Br Br56 1 0.30737479 0.53217765 0.29805352 1.0 Br Br57 1 0.81638651 0.97322745 0.70175585 1.0 Br Br58 1 0.17559465 0.03343664 0.10416852 1.0 Br Br59 1 0.31695119 0.53651053 0.39588857 1.0 Br Br60 1 0.18302988 0.33788574 0.91670806 1.0 Br Br61 1 0.82440535 0.96656336 0.89583148 1.0 Br Br62 1 0.31695119 0.53651053 0.10411143 1.0 Br Br63 1 0.32739433 0.83448004 0.91640532 1.0