# generated using pymatgen data_SrCo2H2(SeO3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38026100 _cell_length_b 14.05317000 _cell_length_c 19.84257650 _cell_angle_alpha 49.43375535 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCo2H2(SeO3)4 _chemical_formula_sum 'Sr4 Co8 H8 Se16 O48' _cell_volume 1139.70345420 _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 Sr Sr0 1 0.45915400 0.50000000 0.75000000 1.0 Sr Sr1 1 0.54084600 0.50000000 0.25000000 1.0 Sr Sr2 1 0.67148100 0.00000000 0.75000000 1.0 Sr Sr3 1 0.32851900 0.00000000 0.25000000 1.0 Co Co4 1 0.04705700 0.24768000 0.25485500 1.0 Co Co5 1 0.95294300 0.75232000 0.74514500 1.0 Co Co6 1 0.04705700 0.75232000 0.24514500 1.0 Co Co7 1 0.95294300 0.24768000 0.75485500 1.0 Co Co8 1 0.40556000 0.74975400 0.49658300 1.0 Co Co9 1 0.59444000 0.25024600 0.50341700 1.0 Co Co10 1 0.40556000 0.25024600 0.00341700 1.0 Co Co11 1 0.59444000 0.74975400 0.99658300 1.0 H H12 1 0.77603700 0.74833100 0.61803400 1.0 H H13 1 0.22396300 0.25166900 0.38196600 1.0 H H14 1 0.77603700 0.25166900 0.88196600 1.0 H H15 1 0.22396300 0.74833100 0.11803400 1.0 H H16 1 0.11520900 0.24319700 0.62932800 1.0 H H17 1 0.88479100 0.75680300 0.37067200 1.0 H H18 1 0.11520900 0.75680300 0.87067200 1.0 H H19 1 0.88479100 0.24319700 0.12932800 1.0 Se Se20 1 0.91879400 0.56629800 0.59189400 1.0 Se Se21 1 0.08120600 0.43370200 0.40810600 1.0 Se Se22 1 0.91879400 0.43370200 0.90810600 1.0 Se Se23 1 0.08120600 0.56629800 0.09189400 1.0 Se Se24 1 0.10484200 0.07517900 0.58972800 1.0 Se Se25 1 0.89515800 0.92482100 0.41027200 1.0 Se Se26 1 0.10484200 0.92482100 0.91027200 1.0 Se Se27 1 0.89515800 0.07517900 0.08972800 1.0 Se Se28 1 0.42554300 0.85329100 0.61535600 1.0 Se Se29 1 0.57445700 0.14670900 0.38464400 1.0 Se Se30 1 0.42554300 0.14670900 0.88464400 1.0 Se Se31 1 0.57445700 0.85329100 0.11535600 1.0 Se Se32 1 0.47937200 0.35277200 0.62151200 1.0 Se Se33 1 0.52062800 0.64722800 0.37848800 1.0 Se Se34 1 0.47937200 0.64722800 0.87848800 1.0 Se Se35 1 0.52062800 0.35277200 0.12151200 1.0 O O36 1 0.20522300 0.60246000 0.60920700 1.0 O O37 1 0.79477700 0.39754000 0.39079300 1.0 O O38 1 0.20522300 0.39754000 0.89079300 1.0 O O39 1 0.79477700 0.60246000 0.10920700 1.0 O O40 1 0.84245600 0.43033700 0.69789600 1.0 O O41 1 0.15754400 0.56966300 0.30210400 1.0 O O42 1 0.84245600 0.56966300 0.80210400 1.0 O O43 1 0.15754400 0.43033700 0.19789600 1.0 O O44 1 0.71769300 0.66788900 0.58865500 1.0 O O45 1 0.28230700 0.33211100 0.41134500 1.0 O O46 1 0.71769300 0.33211100 0.91134500 1.0 O O47 1 0.28230700 0.66788900 0.08865500 1.0 O O48 1 0.38258400 0.10995500 0.61440400 1.0 O O49 1 0.61741600 0.89004500 0.38559600 1.0 O O50 1 0.38258400 0.89004500 0.88559600 1.0 O O51 1 0.61741600 0.10995500 0.11440400 1.0 O O52 1 0.02063100 0.93543900 0.69246900 1.0 O O53 1 0.97936900 0.06456100 0.30753100 1.0 O O54 1 0.02063100 0.06456100 0.80753100 1.0 O O55 1 0.97936900 0.93543900 0.19246900 1.0 O O56 1 0.90988400 0.17476800 0.58896400 1.0 O O57 1 0.09011600 0.82523200 0.41103600 1.0 O O58 1 0.90988400 0.82523200 0.91103600 1.0 O O59 1 0.09011600 0.17476800 0.08896400 1.0 O O60 1 0.36281100 0.86985100 0.52463500 1.0 O O61 1 0.63718900 0.13014900 0.47536500 1.0 O O62 1 0.36281100 0.13014900 0.97536500 1.0 O O63 1 0.63718900 0.86985100 0.02463500 1.0 O O64 1 0.28681300 0.71523300 0.70267300 1.0 O O65 1 0.71318700 0.28476700 0.29732700 1.0 O O66 1 0.28681300 0.28476700 0.79732700 1.0 O O67 1 0.71318700 0.71523300 0.20267300 1.0 O O68 1 0.75922600 0.80558100 0.63301700 1.0 O O69 1 0.24077400 0.19441900 0.36698300 1.0 O O70 1 0.75922600 0.19441900 0.86698300 1.0 O O71 1 0.24077400 0.80558100 0.13301700 1.0 O O72 1 0.53899600 0.36938900 0.53086700 1.0 O O73 1 0.46100400 0.63061100 0.46913300 1.0 O O74 1 0.53899600 0.63061100 0.96913300 1.0 O O75 1 0.46100400 0.36938900 0.03086700 1.0 O O76 1 0.62413100 0.21700700 0.70812300 1.0 O O77 1 0.37586900 0.78299300 0.29187700 1.0 O O78 1 0.62413100 0.78299300 0.79187700 1.0 O O79 1 0.37586900 0.21700700 0.20812300 1.0 O O80 1 0.14497700 0.30113600 0.64153500 1.0 O O81 1 0.85502300 0.69886400 0.35846500 1.0 O O82 1 0.14497700 0.69886400 0.85846500 1.0 O O83 1 0.85502300 0.30113600 0.14153500 1.0