# generated using pymatgen data_Sr4LiMn2Cu3(SO)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.99170369 _cell_length_b 5.99075435 _cell_length_c 8.96059310 _cell_angle_alpha 91.30827046 _cell_angle_beta 70.47760191 _cell_angle_gamma 93.92266599 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr4LiMn2Cu3(SO)4 _chemical_formula_sum 'Sr4 Li1 Mn2 Cu3 S4 O4' _cell_volume 302.43801009 _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 0.39636100 0.99903300 0.19521900 1.0 Sr Sr1 1 0.90821100 0.50088000 0.19514500 1.0 Sr Sr2 1 0.05222800 0.54558300 0.80347300 1.0 Sr Sr3 1 0.64408800 0.95508100 0.80365200 1.0 Li Li4 1 0.35596200 0.24975000 0.78660300 1.0 Mn Mn5 1 0.48805600 0.49539000 0.02291900 1.0 Mn Mn6 1 0.98848600 0.00452500 0.02330900 1.0 Cu Cu7 1 0.50753900 0.24997600 0.48514100 1.0 Cu Cu8 1 0.50489300 0.74991700 0.49019200 1.0 Cu Cu9 1 0.00449500 0.25002700 0.49072100 1.0 S S10 1 0.18498700 0.00658100 0.64458200 1.0 S S11 1 0.66928200 0.49338500 0.64507800 1.0 S S12 1 0.33398100 0.49099700 0.34919100 1.0 S S13 1 0.81660600 0.00882100 0.34918600 1.0 O O14 1 0.24952500 0.24955100 0.00056600 1.0 O O15 1 0.75031500 0.75043400 0.99938100 1.0 O O16 1 0.75129800 0.25037100 0.99700600 1.0 O O17 1 0.24785200 0.74969800 0.00434900 1.0