# generated using pymatgen data_Sm4Br6O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.34852376 _cell_length_b 9.34852376 _cell_length_c 8.12699100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999833 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm4Br6O _chemical_formula_sum 'Sm8 Br12 O2' _cell_volume 615.10108140 _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 0.19500700 0.39001500 0.00696100 1.0 Sm Sm1 1 0.19500700 0.80499300 0.00696100 1.0 Sm Sm2 1 0.80499300 0.19500700 0.50696100 1.0 Sm Sm3 1 0.66666700 0.33333300 0.81779300 1.0 Sm Sm4 1 0.80499300 0.60998500 0.50696100 1.0 Sm Sm5 1 0.39001500 0.19500700 0.50696100 1.0 Sm Sm6 1 0.33333300 0.66666700 0.31779300 1.0 Sm Sm7 1 0.60998500 0.80499300 0.00696100 1.0 Br Br8 1 0.26954600 0.13477300 0.87251300 1.0 Br Br9 1 0.03432900 0.51716500 0.68842200 1.0 Br Br10 1 0.13477300 0.26954600 0.37251300 1.0 Br Br11 1 0.51716500 0.48283500 0.18842200 1.0 Br Br12 1 0.13477300 0.86522700 0.37251300 1.0 Br Br13 1 0.96567100 0.48283500 0.18842200 1.0 Br Br14 1 0.86522700 0.13477300 0.87251300 1.0 Br Br15 1 0.48283500 0.96567100 0.68842200 1.0 Br Br16 1 0.73045400 0.86522700 0.37251300 1.0 Br Br17 1 0.86522700 0.73045400 0.87251300 1.0 Br Br18 1 0.48283500 0.51716500 0.68842200 1.0 Br Br19 1 0.51716500 0.03432900 0.18842200 1.0 O O20 1 0.66666700 0.33333300 0.52371000 1.0 O O21 1 0.33333300 0.66666700 0.02371000 1.0