# generated using pymatgen data_Cs(MnS2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.05633511 _cell_length_b 6.90790002 _cell_length_c 16.70824816 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs(MnS2)2 _chemical_formula_sum 'Cs4 Mn8 S16' _cell_volume 699.01558406 _cell_formula_units_Z 4 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 Cs Cs0 1 0.36278457 0.00000000 0.00000000 1.0 Cs Cs1 1 0.63721543 0.50000000 0.50000000 1.0 Cs Cs2 1 0.03995220 0.00000000 0.50000000 1.0 Cs Cs3 1 0.96004780 0.50000000 0.00000000 1.0 Mn Mn4 1 0.00233622 0.00000000 0.24991221 1.0 Mn Mn5 1 0.00233622 0.00000000 0.75008779 1.0 Mn Mn6 1 0.99766378 0.50000000 0.25008779 1.0 Mn Mn7 1 0.99766378 0.50000000 0.74991221 1.0 Mn Mn8 1 0.50000000 0.25000000 0.25000000 1.0 Mn Mn9 1 0.50000000 0.75000000 0.75000000 1.0 Mn Mn10 1 0.50000000 0.75000000 0.25000000 1.0 Mn Mn11 1 0.50000000 0.25000000 0.75000000 1.0 S S12 1 0.83694769 0.25003523 0.32939212 1.0 S S13 1 0.83694769 0.74996477 0.67060788 1.0 S S14 1 0.16305231 0.75003523 0.17060788 1.0 S S15 1 0.16305231 0.24996477 0.82939212 1.0 S S16 1 0.16305231 0.24996477 0.17060788 1.0 S S17 1 0.16305231 0.75003523 0.82939212 1.0 S S18 1 0.83694769 0.74996477 0.32939212 1.0 S S19 1 0.83694769 0.25003523 0.67060788 1.0 S S20 1 0.67113800 0.00000000 0.17119370 1.0 S S21 1 0.67113800 0.00000000 0.82880630 1.0 S S22 1 0.32886200 0.50000000 0.32880630 1.0 S S23 1 0.32886200 0.50000000 0.67119370 1.0 S S24 1 0.34107659 0.00000000 0.32782244 1.0 S S25 1 0.34107659 0.00000000 0.67217756 1.0 S S26 1 0.65892341 0.50000000 0.17217756 1.0 S S27 1 0.65892341 0.50000000 0.82782244 1.0