# generated using pymatgen data_K4Mo2S4BrO20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.14651500 _cell_length_b 12.14651500 _cell_length_c 8.14943300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K4Mo2S4BrO20 _chemical_formula_sum 'K8 Mo4 S8 Br2 O40' _cell_volume 1202.34963321 _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 K K0 1 0.83247700 0.66752300 0.75000000 1.0 K K1 1 0.16752300 0.33247700 0.75000000 1.0 K K2 1 0.33247700 0.83247700 0.25000000 1.0 K K3 1 0.66752300 0.16752300 0.25000000 1.0 K K4 1 0.33247700 0.83247700 0.75000000 1.0 K K5 1 0.66752300 0.16752300 0.75000000 1.0 K K6 1 0.16752300 0.33247700 0.25000000 1.0 K K7 1 0.83247700 0.66752300 0.25000000 1.0 Mo Mo8 1 0.50000000 0.50000000 0.13858400 1.0 Mo Mo9 1 0.00000000 0.00000000 0.63858400 1.0 Mo Mo10 1 0.50000000 0.50000000 0.86141600 1.0 Mo Mo11 1 0.00000000 0.00000000 0.36141600 1.0 S S12 1 0.77201700 0.91027200 0.50000000 1.0 S S13 1 0.22798300 0.08972800 0.50000000 1.0 S S14 1 0.27201700 0.58972800 0.00000000 1.0 S S15 1 0.72798300 0.41027200 0.00000000 1.0 S S16 1 0.08972800 0.77201700 0.50000000 1.0 S S17 1 0.91027200 0.22798300 0.50000000 1.0 S S18 1 0.41027200 0.27201700 0.00000000 1.0 S S19 1 0.58972800 0.72798300 0.00000000 1.0 Br Br20 1 0.50000000 0.50000000 0.50000000 1.0 Br Br21 1 0.00000000 0.00000000 0.00000000 1.0 O O22 1 0.84873100 0.92735000 0.34880200 1.0 O O23 1 0.15126900 0.07265000 0.34880200 1.0 O O24 1 0.34873100 0.57265000 0.84880200 1.0 O O25 1 0.65126900 0.42735000 0.84880200 1.0 O O26 1 0.07265000 0.84873100 0.34880200 1.0 O O27 1 0.92735000 0.15126900 0.34880200 1.0 O O28 1 0.42735000 0.34873100 0.84880200 1.0 O O29 1 0.57265000 0.65126900 0.84880200 1.0 O O30 1 0.15126900 0.07265000 0.65119800 1.0 O O31 1 0.84873100 0.92735000 0.65119800 1.0 O O32 1 0.65126900 0.42735000 0.15119800 1.0 O O33 1 0.34873100 0.57265000 0.15119800 1.0 O O34 1 0.92735000 0.15126900 0.65119800 1.0 O O35 1 0.07265000 0.84873100 0.65119800 1.0 O O36 1 0.57265000 0.65126900 0.15119800 1.0 O O37 1 0.42735000 0.34873100 0.15119800 1.0 O O38 1 0.97789300 0.73650200 0.00000000 1.0 O O39 1 0.02210700 0.26349800 0.00000000 1.0 O O40 1 0.47789300 0.76349800 0.50000000 1.0 O O41 1 0.52210700 0.23650200 0.50000000 1.0 O O42 1 0.26349800 0.97789300 0.00000000 1.0 O O43 1 0.73650200 0.02210700 0.00000000 1.0 O O44 1 0.23650200 0.47789300 0.50000000 1.0 O O45 1 0.76349800 0.52210700 0.50000000 1.0 O O46 1 0.73465200 0.79739700 0.50000000 1.0 O O47 1 0.26534800 0.20260300 0.50000000 1.0 O O48 1 0.23465200 0.70260300 0.00000000 1.0 O O49 1 0.76534800 0.29739700 0.00000000 1.0 O O50 1 0.20260300 0.73465200 0.50000000 1.0 O O51 1 0.79739700 0.26534800 0.50000000 1.0 O O52 1 0.29739700 0.23465200 0.00000000 1.0 O O53 1 0.70260300 0.76534800 0.00000000 1.0 O O54 1 0.68831300 0.99593300 0.50000000 1.0 O O55 1 0.31168700 0.00406700 0.50000000 1.0 O O56 1 0.18831300 0.50406700 0.00000000 1.0 O O57 1 0.81168700 0.49593300 0.00000000 1.0 O O58 1 0.00406700 0.68831300 0.50000000 1.0 O O59 1 0.99593300 0.31168700 0.50000000 1.0 O O60 1 0.49593300 0.18831300 0.00000000 1.0 O O61 1 0.50406700 0.81168700 0.00000000 1.0