# generated using pymatgen data_CaCoBi2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.92756000 _cell_length_b 7.45967200 _cell_length_c 11.45139045 _cell_angle_alpha 76.24365881 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCoBi2O7 _chemical_formula_sum 'Ca8 Co8 Bi16 O56' _cell_volume 1238.58898944 _cell_formula_units_Z 8 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 0.50930100 0.88027800 0.79279500 1.0 Ca Ca1 1 0.87556500 0.68325900 0.98544000 1.0 Ca Ca2 1 0.37556500 0.31674100 0.51456000 1.0 Ca Ca3 1 0.12443500 0.31674100 0.01456000 1.0 Ca Ca4 1 0.62443500 0.68325900 0.48544000 1.0 Ca Ca5 1 0.99069900 0.88027800 0.29279500 1.0 Ca Ca6 1 0.49069900 0.11972200 0.20720500 1.0 Ca Ca7 1 0.00930100 0.11972200 0.70720500 1.0 Co Co8 1 0.66834000 0.36322800 0.08828100 1.0 Co Co9 1 0.16834000 0.63677200 0.41171900 1.0 Co Co10 1 0.33166000 0.63677200 0.91171900 1.0 Co Co11 1 0.83166000 0.36322800 0.58828100 1.0 Co Co12 1 0.74173300 0.00794400 0.26862700 1.0 Co Co13 1 0.24173300 0.99205600 0.23137300 1.0 Co Co14 1 0.25826700 0.99205600 0.73137300 1.0 Co Co15 1 0.75826700 0.00794400 0.76862700 1.0 Bi Bi16 1 0.90096100 0.13909500 0.01833200 1.0 Bi Bi17 1 0.01594500 0.62118800 0.69444300 1.0 Bi Bi18 1 0.48405500 0.62118800 0.19444300 1.0 Bi Bi19 1 0.98405500 0.37881200 0.30555700 1.0 Bi Bi20 1 0.73525100 0.50076000 0.78907400 1.0 Bi Bi21 1 0.23525100 0.49924000 0.71092600 1.0 Bi Bi22 1 0.26474900 0.49924000 0.21092600 1.0 Bi Bi23 1 0.76474900 0.50076000 0.28907400 1.0 Bi Bi24 1 0.51594500 0.37881200 0.80555700 1.0 Bi Bi25 1 0.18098600 0.10146300 0.46044600 1.0 Bi Bi26 1 0.68098600 0.89853700 0.03955400 1.0 Bi Bi27 1 0.81901400 0.89853700 0.53955400 1.0 Bi Bi28 1 0.40096100 0.86090500 0.48166800 1.0 Bi Bi29 1 0.59903900 0.13909500 0.51833200 1.0 Bi Bi30 1 0.09903900 0.86090500 0.98166800 1.0 Bi Bi31 1 0.31901400 0.10146300 0.96044600 1.0 O O32 1 0.02128600 0.13504300 0.91068500 1.0 O O33 1 0.52128600 0.86495700 0.58931500 1.0 O O34 1 0.97871400 0.86495700 0.08931500 1.0 O O35 1 0.47871400 0.13504300 0.41068500 1.0 O O36 1 0.81400900 0.99099000 0.91739500 1.0 O O37 1 0.31400900 0.00901000 0.58260500 1.0 O O38 1 0.18599100 0.00901000 0.08260500 1.0 O O39 1 0.68599100 0.99099000 0.41739500 1.0 O O40 1 0.80351300 0.96160500 0.14074600 1.0 O O41 1 0.30351300 0.03839500 0.35925400 1.0 O O42 1 0.19648700 0.03839500 0.85925400 1.0 O O43 1 0.69648700 0.96160500 0.64074600 1.0 O O44 1 0.27371600 0.38230300 0.91837100 1.0 O O45 1 0.77371600 0.61769700 0.58162900 1.0 O O46 1 0.72628400 0.61769700 0.08162900 1.0 O O47 1 0.22628400 0.38230300 0.41837100 1.0 O O48 1 0.35074400 0.03242700 0.14566300 1.0 O O49 1 0.85074400 0.96757300 0.35433700 1.0 O O50 1 0.64925600 0.96757300 0.85433700 1.0 O O51 1 0.14925600 0.03242700 0.64566300 1.0 O O52 1 0.35906400 0.92917600 0.84210100 1.0 O O53 1 0.43231000 0.60135100 0.81023300 1.0 O O54 1 0.85906400 0.07082400 0.65789900 1.0 O O55 1 0.14093600 0.92917600 0.34210100 1.0 O O56 1 0.50582000 0.23217600 0.66304200 1.0 O O57 1 0.00582000 0.76782400 0.83695800 1.0 O O58 1 0.49418000 0.76782400 0.33695800 1.0 O O59 1 0.99418000 0.23217600 0.16304200 1.0 O O60 1 0.45982200 0.18468100 0.95344600 1.0 O O61 1 0.95982200 0.81531900 0.54655400 1.0 O O62 1 0.54017800 0.81531900 0.04655400 1.0 O O63 1 0.04017800 0.18468100 0.45344600 1.0 O O64 1 0.89155500 0.57167800 0.19928000 1.0 O O65 1 0.39155500 0.42832200 0.30072000 1.0 O O66 1 0.10844500 0.42832200 0.80072000 1.0 O O67 1 0.60844500 0.57167800 0.69928000 1.0 O O68 1 0.76185400 0.26570400 0.21251400 1.0 O O69 1 0.26185400 0.73429600 0.28748600 1.0 O O70 1 0.23814600 0.73429600 0.78748600 1.0 O O71 1 0.73814600 0.26570400 0.71251400 1.0 O O72 1 0.67001100 0.39934000 0.44075200 1.0 O O73 1 0.17001100 0.60066000 0.05924800 1.0 O O74 1 0.32998900 0.60066000 0.55924800 1.0 O O75 1 0.82998900 0.39934000 0.94075200 1.0 O O76 1 0.70260800 0.75343100 0.29824400 1.0 O O77 1 0.20260800 0.24656900 0.20175600 1.0 O O78 1 0.29739200 0.24656900 0.70175600 1.0 O O79 1 0.79739200 0.75343100 0.79824400 1.0 O O80 1 0.86738200 0.38316900 0.42441800 1.0 O O81 1 0.36738200 0.61683100 0.07558200 1.0 O O82 1 0.13261800 0.61683100 0.57558100 1.0 O O83 1 0.63261800 0.38316900 0.92441900 1.0 O O84 1 0.06769000 0.60135100 0.31023300 1.0 O O85 1 0.56769000 0.39864900 0.18976700 1.0 O O86 1 0.93231000 0.39864900 0.68976700 1.0 O O87 1 0.64093600 0.07082400 0.15789900 1.0