# generated using pymatgen data_Ca6Co3Si6O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 21.38641600 _cell_length_b 21.38641600 _cell_length_c 4.77530200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca6Co3Si6O5 _chemical_formula_sum 'Ca36 Co18 Si36 O30' _cell_volume 2184.12184742 _cell_formula_units_Z 6 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 Ca Ca0 1 0.88048300 0.60934200 0.48982000 1.0 Ca Ca1 1 0.11951700 0.39065800 0.48982000 1.0 Ca Ca2 1 0.39065800 0.88048300 0.51018000 1.0 Ca Ca3 1 0.60934200 0.11951700 0.51018000 1.0 Ca Ca4 1 0.89021600 0.94880300 0.50241000 1.0 Ca Ca5 1 0.10978400 0.05119700 0.50241000 1.0 Ca Ca6 1 0.05119700 0.89021600 0.49759000 1.0 Ca Ca7 1 0.94880300 0.10978400 0.49759000 1.0 Ca Ca8 1 0.55968200 0.94605600 0.50028100 1.0 Ca Ca9 1 0.44031800 0.05394400 0.50028100 1.0 Ca Ca10 1 0.05394400 0.55968200 0.49971900 1.0 Ca Ca11 1 0.94605600 0.44031800 0.49971900 1.0 Ca Ca12 1 0.21780600 0.94016900 0.49317400 1.0 Ca Ca13 1 0.78219400 0.05983100 0.49317400 1.0 Ca Ca14 1 0.05983100 0.21780600 0.50682600 1.0 Ca Ca15 1 0.94016900 0.78219400 0.50682600 1.0 Ca Ca16 1 0.56459800 0.61053100 0.49434000 1.0 Ca Ca17 1 0.43540200 0.38946900 0.49434000 1.0 Ca Ca18 1 0.38946900 0.56459800 0.50566000 1.0 Ca Ca19 1 0.61053100 0.43540200 0.50566000 1.0 Ca Ca20 1 0.22055700 0.61289600 0.49863100 1.0 Ca Ca21 1 0.77944300 0.38710400 0.49863100 1.0 Ca Ca22 1 0.38710400 0.22055700 0.50136900 1.0 Ca Ca23 1 0.61289600 0.77944300 0.50136900 1.0 Ca Ca24 1 0.88616200 0.26992100 0.48958400 1.0 Ca Ca25 1 0.11383800 0.73007900 0.48958400 1.0 Ca Ca26 1 0.73007900 0.88616200 0.51041600 1.0 Ca Ca27 1 0.26992100 0.11383800 0.51041600 1.0 Ca Ca28 1 0.55056500 0.28324700 0.51505400 1.0 Ca Ca29 1 0.44943500 0.71675300 0.51505400 1.0 Ca Ca30 1 0.71675300 0.55056500 0.48494600 1.0 Ca Ca31 1 0.28324700 0.44943500 0.48494600 1.0 Ca Ca32 1 0.22676000 0.28446000 0.51396100 1.0 Ca Ca33 1 0.77324000 0.71554000 0.51396100 1.0 Ca Ca34 1 0.71554000 0.22676000 0.48603900 1.0 Ca Ca35 1 0.28446000 0.77324000 0.48603900 1.0 Co Co36 1 0.00000000 0.00000000 0.00000000 1.0 Co Co37 1 0.68481500 0.98708100 0.98869800 1.0 Co Co38 1 0.31518500 0.01291900 0.98869800 1.0 Co Co39 1 0.01291900 0.68481500 0.01130200 1.0 Co Co40 1 0.98708100 0.31518500 0.01130200 1.0 Co Co41 1 0.67153700 0.67102500 0.99176100 1.0 Co Co42 1 0.32846300 0.32897500 0.99176100 1.0 Co Co43 1 0.32897500 0.67153700 0.00823900 1.0 Co Co44 1 0.67102500 0.32846300 0.00823900 1.0 Co Co45 1 0.83349300 0.83444200 0.98623000 1.0 Co Co46 1 0.16650700 0.16555800 0.98623000 1.0 Co Co47 1 0.16555800 0.83349300 0.01377000 1.0 Co Co48 1 0.83444200 0.16650700 0.01377000 1.0 Co Co49 1 0.51039300 0.80752900 0.00907000 1.0 Co Co50 1 0.48960700 0.19247100 0.00907000 1.0 Co Co51 1 0.19247100 0.51039300 0.99093000 1.0 Co Co52 1 0.80752900 0.48960700 0.99093000 1.0 Co Co53 1 0.50000000 0.50000000 0.00000000 1.0 Si Si54 1 0.94670000 0.54892400 0.04470000 1.0 Si Si55 1 0.05330000 0.45107600 0.04470000 1.0 Si Si56 1 0.45107600 0.94670000 0.95530000 1.0 Si Si57 1 0.54892400 0.05330000 0.95530000 1.0 Si Si58 1 0.94504400 0.88854100 0.99721700 1.0 Si Si59 1 0.05495600 0.11145900 0.99721700 1.0 Si Si60 1 0.11145900 0.94504400 0.00278300 1.0 Si Si61 1 0.88854100 0.05495600 0.00278300 1.0 Si Si62 1 0.05473000 0.78590900 0.97298000 1.0 Si Si63 1 0.94527000 0.21409100 0.97298000 1.0 Si Si64 1 0.21409100 0.05473000 0.02702000 1.0 Si Si65 1 0.78590900 0.94527000 0.02702000 1.0 Si Si66 1 0.62490300 0.88131600 0.01006000 1.0 Si Si67 1 0.37509700 0.11868400 0.01006000 1.0 Si Si68 1 0.11868400 0.62490300 0.98994000 1.0 Si Si69 1 0.88131600 0.37509700 0.98994000 1.0 Si Si70 1 0.27176900 0.21971000 0.98323900 1.0 Si Si71 1 0.72823100 0.78029000 0.98323900 1.0 Si Si72 1 0.78029000 0.27176900 0.01676100 1.0 Si Si73 1 0.21971000 0.72823100 0.01676100 1.0 Si Si74 1 0.26878200 0.87372000 0.97440500 1.0 Si Si75 1 0.73121800 0.12628000 0.97440500 1.0 Si Si76 1 0.12628000 0.26878200 0.02559500 1.0 Si Si77 1 0.87372000 0.73121800 0.02559500 1.0 Si Si78 1 0.38318700 0.76937200 0.01054800 1.0 Si Si79 1 0.61681300 0.23062800 0.01054800 1.0 Si Si80 1 0.23062800 0.38318700 0.98945200 1.0 Si Si81 1 0.76937200 0.61681300 0.98945200 1.0 Si Si82 1 0.60534900 0.54084100 0.97758400 1.0 Si Si83 1 0.39465100 0.45915900 0.97758400 1.0 Si Si84 1 0.45915900 0.60534900 0.02241600 1.0 Si Si85 1 0.54084100 0.39465100 0.02241600 1.0 Si Si86 1 0.71175600 0.43671300 0.99112900 1.0 Si Si87 1 0.28824400 0.56328700 0.99112900 1.0 Si Si88 1 0.56328700 0.71175600 0.00887100 1.0 Si Si89 1 0.43671300 0.28824400 0.00887100 1.0 O O90 1 0.00000000 0.50000000 0.17093900 1.0 O O91 1 0.50000000 0.00000000 0.82906100 1.0 O O92 1 0.95030800 0.54585400 0.70935800 1.0 O O93 1 0.04969200 0.45414600 0.70935800 1.0 O O94 1 0.45414600 0.95030800 0.29064200 1.0 O O95 1 0.54585400 0.04969200 0.29064200 1.0 O O96 1 0.96696400 0.61419600 0.19677800 1.0 O O97 1 0.03303600 0.38580400 0.19677800 1.0 O O98 1 0.38580400 0.96696400 0.80322200 1.0 O O99 1 0.61419600 0.03303600 0.80322200 1.0 O O100 1 0.88376600 0.52359600 0.19723800 1.0 O O101 1 0.11623400 0.47640400 0.19723800 1.0 O O102 1 0.47640400 0.88376600 0.80276200 1.0 O O103 1 0.52359600 0.11623400 0.80276200 1.0 O O104 1 0.99934500 0.83519400 0.15013600 1.0 O O105 1 0.00065500 0.16480600 0.15013600 1.0 O O106 1 0.16480600 0.99934500 0.84986400 1.0 O O107 1 0.83519400 0.00065500 0.84986400 1.0 O O108 1 0.67783700 0.82850400 0.18162200 1.0 O O109 1 0.32216300 0.17149600 0.18162200 1.0 O O110 1 0.17149600 0.67783700 0.81837800 1.0 O O111 1 0.82850400 0.32216300 0.81837800 1.0 O O112 1 0.33508800 0.83636900 0.13213000 1.0 O O113 1 0.66491200 0.16363100 0.13213000 1.0 O O114 1 0.16363100 0.33508800 0.86787000 1.0 O O115 1 0.83636900 0.66491200 0.86787000 1.0 O O116 1 0.65894000 0.49145500 0.15362600 1.0 O O117 1 0.34106000 0.50854500 0.15362600 1.0 O O118 1 0.50854500 0.65894000 0.84637400 1.0 O O119 1 0.49145500 0.34106000 0.84637400 1.0