# generated using pymatgen data_Sr4Mn2Cu3(SO)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.73776164 _cell_length_b 10.73776164 _cell_length_c 10.73776164 _cell_angle_alpha 149.07586498 _cell_angle_beta 115.50264327 _cell_angle_gamma 73.23773499 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr4Mn2Cu3(SO)4 _chemical_formula_sum 'Sr8 Mn4 Cu6 S8 O8' _cell_volume 565.43711144 _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 Sr Sr0 1 0.02359400 0.64349400 0.86778200 1.0 Sr Sr1 1 0.97640600 0.35650600 0.13221800 1.0 Sr Sr2 1 0.52359400 0.65581200 0.38010000 1.0 Sr Sr3 1 0.22428800 0.84418800 0.86778200 1.0 Sr Sr4 1 0.77571200 0.15581200 0.13221800 1.0 Sr Sr5 1 0.72428800 0.85650600 0.38010000 1.0 Sr Sr6 1 0.47640600 0.34418800 0.61990000 1.0 Sr Sr7 1 0.27571200 0.14349400 0.61990000 1.0 Mn Mn8 1 0.62580200 0.25456800 0.88037000 1.0 Mn Mn9 1 0.87419800 0.75456800 0.62876600 1.0 Mn Mn10 1 0.12580200 0.24543200 0.37123400 1.0 Mn Mn11 1 0.37419800 0.74543200 0.11963000 1.0 Cu Cu12 1 0.99543300 0.25000000 0.74543300 1.0 Cu Cu13 1 0.25000000 0.25000000 0.00000000 1.0 Cu Cu14 1 0.49543300 0.75000000 0.74543300 1.0 Cu Cu15 1 0.50456700 0.25000000 0.25456700 1.0 Cu Cu16 1 0.75000000 0.75000000 0.00000000 1.0 Cu Cu17 1 0.00456700 0.75000000 0.25456700 1.0 S S18 1 0.95514400 0.06932000 0.36880000 1.0 S S19 1 0.45514400 0.08634400 0.88582400 1.0 S S20 1 0.54485600 0.91365600 0.11417600 1.0 S S21 1 0.20052000 0.56932000 0.11417600 1.0 S S22 1 0.79948000 0.43068000 0.88582400 1.0 S S23 1 0.04485600 0.93068000 0.63120000 1.0 S S24 1 0.70052000 0.58634400 0.63120000 1.0 S S25 1 0.29948000 0.41365600 0.36880000 1.0 O O26 1 0.25026700 0.49317500 0.74344200 1.0 O O27 1 0.74973300 0.50682500 0.25655800 1.0 O O28 1 0.24973300 0.99317500 0.24290900 1.0 O O29 1 0.75026700 0.00682500 0.75709100 1.0 O O30 1 0.00000000 0.50000000 0.50000000 1.0 O O31 1 0.50000000 0.00000000 0.50000000 1.0 O O32 1 0.50000000 0.50000000 0.00000000 1.0 O O33 1 0.00000000 0.00000000 0.00000000 1.0