# generated using pymatgen data_Sm4Cl6O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.70726862 _cell_length_b 8.70726862 _cell_length_c 8.28342800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000470 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm4Cl6O _chemical_formula_sum 'Sm8 Cl12 O2' _cell_volume 543.88189000 _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 0.81530100 0.18469900 0.54619500 1.0 Sm Sm1 1 0.63060200 0.81530100 0.04619500 1.0 Sm Sm2 1 0.18469900 0.36939800 0.04619500 1.0 Sm Sm3 1 0.81530100 0.63060200 0.54619500 1.0 Sm Sm4 1 0.36939800 0.18469900 0.54619500 1.0 Sm Sm5 1 0.18469900 0.81530100 0.04619500 1.0 Sm Sm6 1 0.66666700 0.33333300 0.84637400 1.0 Sm Sm7 1 0.33333300 0.66666700 0.34637400 1.0 Cl Cl8 1 0.48251900 0.96503800 0.71289500 1.0 Cl Cl9 1 0.51748100 0.03496200 0.21289500 1.0 Cl Cl10 1 0.96503800 0.48251900 0.21289500 1.0 Cl Cl11 1 0.48251900 0.51748100 0.71289500 1.0 Cl Cl12 1 0.86277300 0.13722700 0.88975700 1.0 Cl Cl13 1 0.72554500 0.86277300 0.38975700 1.0 Cl Cl14 1 0.51748100 0.48251900 0.21289500 1.0 Cl Cl15 1 0.03496200 0.51748100 0.71289500 1.0 Cl Cl16 1 0.13722700 0.86277300 0.38975700 1.0 Cl Cl17 1 0.27445500 0.13722700 0.88975700 1.0 Cl Cl18 1 0.86277300 0.72554500 0.88975700 1.0 Cl Cl19 1 0.13722700 0.27445500 0.38975700 1.0 O O20 1 0.33333300 0.66666700 0.06338400 1.0 O O21 1 0.66666700 0.33333300 0.56338400 1.0