# generated using pymatgen data_Sr2Cu3(SO)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.61901650 _cell_length_b 9.61901650 _cell_length_c 9.61901650 _cell_angle_alpha 156.39634766 _cell_angle_beta 156.39634766 _cell_angle_gamma 33.62554674 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2Cu3(SO)2 _chemical_formula_sum 'Sr2 Cu3 S2 O2' _cell_volume 142.55485815 _cell_formula_units_Z 1 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 Sr Sr0 1 0.59176000 0.59176000 0.00000000 1.0 Sr Sr1 1 0.40824000 0.40824000 0.00000000 1.0 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu3 1 0.25000000 0.75000000 0.50000000 1.0 Cu Cu4 1 0.75000000 0.25000000 0.50000000 1.0 S S5 1 0.17411600 0.17411600 0.00000000 1.0 S S6 1 0.82588400 0.82588400 0.00000000 1.0 O O7 1 0.00000000 0.50000000 0.50000000 1.0 O O8 1 0.50000000 0.00000000 0.50000000 1.0