data_image0 _chemical_formula_structural Al2Br14Se2 _chemical_formula_sum "Al2 Br14 Se2" _cell_length_a 6.685053 _cell_length_b 6.8226014608028365 _cell_length_c 14.632137017626919 _cell_angle_alpha 102.6224373044563 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _space_group_name_H-M_alt "P 1" _space_group_IT_number 1 loop_ _space_group_symop_operation_xyz '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 Al Al1 1.0 0.9976066008999999 0.297950629 0.6630700917 1.0000 Al Al2 1.0 0.0023923519999999874 0.2979513872999999 0.16306981699999995 1.0000 Br Br1 1.0 0.18504460619999993 0.8038060246999998 0.8960537855999998 1.0000 Br Br2 1.0 0.6180733346 0.12215646889999987 0.8955935481999998 1.0000 Br Br3 1.0 0.8592636437999999 0.5185892215999998 0.7922253815999999 1.0000 Br Br4 1.0 0.3424779129999999 0.3272278462 0.6702648396999998 1.0000 Br Br5 1.0 0.8830689898999999 0.9748711298 0.6646259326999998 1.0000 Br Br6 1.0 0.39155456209999995 0.7454046883999998 0.5404054763999998 1.0000 Br Br7 1.0 0.8726786459 0.36961777099999993 0.5245658135999999 1.0000 Br Br8 1.0 0.8149558425 0.803807092 0.3960542111999999 1.0000 Br Br9 1.0 0.3819256181999999 0.1221557572999998 0.3955932643999998 1.0000 Br Br10 1.0 0.14073680489999985 0.5185899799 0.2922251069 1.0000 Br Br11 1.0 0.6575225357000001 0.32722713459999986 0.17026455599999998 1.0000 Br Br12 1.0 0.1169314589 0.9748721971000001 0.16462635839999992 1.0000 Br Br13 1.0 0.6084458867 0.7454039769 0.040405192599999966 1.0000 Br Br14 1.0 0.12732180279999994 0.36961852939999984 0.02456553900000002 1.0000 Se Se1 1.0 0.5890743124999999 0.005075460200000018 0.5030961360999998 1.0000 Se Se2 1.0 0.41092613629999997 0.0050762184999998405 0.003095861499999963 1.0000