# generated using pymatgen data_Ca(Si9O19)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.18310507 _cell_length_b 13.18310507 _cell_length_c 15.15897032 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999976 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca(Si9O19)2 _chemical_formula_sum 'Ca2 Si36 O76' _cell_volume 2281.58032158 _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 Ca Ca0 1 0.00000000 0.00000000 0.75000000 1.0 Ca Ca1 1 0.00000000 0.00000000 0.25000000 1.0 Si Si2 1 0.57441282 0.66753829 0.75000000 1.0 Si Si3 1 0.42558718 0.33246171 0.25000000 1.0 Si Si4 1 0.09312547 0.42558718 0.75000000 1.0 Si Si5 1 0.90687453 0.33246171 0.25000000 1.0 Si Si6 1 0.90687453 0.57441282 0.25000000 1.0 Si Si7 1 0.09312547 0.66753829 0.75000000 1.0 Si Si8 1 0.33246171 0.90687453 0.75000000 1.0 Si Si9 1 0.66753829 0.57441282 0.25000000 1.0 Si Si10 1 0.66753829 0.09312547 0.25000000 1.0 Si Si11 1 0.33246171 0.42558718 0.75000000 1.0 Si Si12 1 0.42558718 0.09312547 0.25000000 1.0 Si Si13 1 0.57441282 0.90687453 0.75000000 1.0 Si Si14 1 0.99970895 0.23606117 0.89614230 1.0 Si Si15 1 0.00029105 0.76393883 0.10385770 1.0 Si Si16 1 0.23635222 0.00029105 0.89614230 1.0 Si Si17 1 0.00029105 0.76393883 0.39614230 1.0 Si Si18 1 0.76364778 0.76393883 0.10385770 1.0 Si Si19 1 0.76364778 0.99970895 0.10385770 1.0 Si Si20 1 0.99970895 0.23606117 0.60385770 1.0 Si Si21 1 0.23635222 0.23606117 0.89614230 1.0 Si Si22 1 0.76393883 0.76364778 0.89614230 1.0 Si Si23 1 0.76364778 0.99970895 0.39614230 1.0 Si Si24 1 0.23606117 0.99970895 0.10385770 1.0 Si Si25 1 0.23606117 0.23635222 0.10385770 1.0 Si Si26 1 0.23635222 0.00029105 0.60385770 1.0 Si Si27 1 0.76393883 0.00029105 0.89614230 1.0 Si Si28 1 0.23635222 0.23606117 0.60385770 1.0 Si Si29 1 0.76364778 0.76393883 0.39614230 1.0 Si Si30 1 0.23606117 0.23635222 0.39614230 1.0 Si Si31 1 0.76393883 0.00029105 0.60385770 1.0 Si Si32 1 0.76393883 0.76364778 0.60385770 1.0 Si Si33 1 0.23606117 0.99970895 0.39614230 1.0 Si Si34 1 0.00029105 0.23635222 0.10385770 1.0 Si Si35 1 0.99970895 0.76364778 0.89614230 1.0 Si Si36 1 0.99970895 0.76364778 0.60385770 1.0 Si Si37 1 0.00029105 0.23635222 0.39614230 1.0 O O38 1 0.73550290 0.73550290 -0.00000000 1.0 O O39 1 0.26449710 0.26449710 -0.00000000 1.0 O O40 1 1.00000000 0.26449710 -0.00000000 1.0 O O41 1 0.26449710 0.26449710 0.50000000 1.0 O O42 1 0.00000000 0.73550290 -0.00000000 1.0 O O43 1 0.73550290 0.73550290 0.50000000 1.0 O O44 1 0.26449710 1.00000000 -0.00000000 1.0 O O45 1 0.00000000 0.73550290 0.50000000 1.0 O O46 1 0.73550290 0.00000000 -0.00000000 1.0 O O47 1 1.00000000 0.26449710 0.50000000 1.0 O O48 1 0.73550290 0.00000000 0.50000000 1.0 O O49 1 0.26449710 1.00000000 0.50000000 1.0 O O50 1 0.90435268 0.09564732 0.37496808 1.0 O O51 1 0.09564732 0.90435268 0.62503192 1.0 O O52 1 0.19129464 0.09564732 0.37496808 1.0 O O53 1 0.09564732 0.90435268 0.87496808 1.0 O O54 1 0.80870536 0.90435268 0.62503192 1.0 O O55 1 0.90435268 0.09564732 0.12503192 1.0 O O56 1 0.90435268 0.80870536 0.37496808 1.0 O O57 1 0.80870536 0.90435268 0.87496808 1.0 O O58 1 0.09564732 0.19129464 0.62503192 1.0 O O59 1 0.19129464 0.09564732 0.12503192 1.0 O O60 1 0.09564732 0.19129464 0.87496808 1.0 O O61 1 0.90435268 0.80870536 0.12503192 1.0 O O62 1 0.65074283 0.67889752 0.83791020 1.0 O O63 1 0.34925717 0.32110248 0.16208980 1.0 O O64 1 0.02815470 0.34925717 0.83791020 1.0 O O65 1 0.34925717 0.32110248 0.33791020 1.0 O O66 1 0.97184530 0.32110248 0.16208980 1.0 O O67 1 0.97184530 0.65074283 0.16208980 1.0 O O68 1 0.65074283 0.67889752 0.66208980 1.0 O O69 1 0.02815470 0.67889752 0.83791020 1.0 O O70 1 0.32110248 0.97184530 0.83791020 1.0 O O71 1 0.97184530 0.65074283 0.33791020 1.0 O O72 1 0.67889752 0.65074283 0.16208980 1.0 O O73 1 0.67889752 0.02815470 0.16208980 1.0 O O74 1 0.02815470 0.34925717 0.66208980 1.0 O O75 1 0.32110248 0.34925717 0.83791020 1.0 O O76 1 0.02815470 0.67889752 0.66208980 1.0 O O77 1 0.97184530 0.32110248 0.33791020 1.0 O O78 1 0.67889752 0.02815470 0.33791020 1.0 O O79 1 0.32110248 0.34925717 0.66208980 1.0 O O80 1 0.32110248 0.97184530 0.66208980 1.0 O O81 1 0.67889752 0.65074283 0.33791020 1.0 O O82 1 0.34925717 0.02815470 0.16208980 1.0 O O83 1 0.65074283 0.97184530 0.83791020 1.0 O O84 1 0.65074283 0.97184530 0.66208980 1.0 O O85 1 0.34925717 0.02815470 0.33791020 1.0 O O86 1 0.45767622 0.54232378 0.75000000 1.0 O O87 1 0.54232378 0.45767622 0.25000000 1.0 O O88 1 0.08464757 0.54232378 0.75000000 1.0 O O89 1 0.91535243 0.45767622 0.25000000 1.0 O O90 1 0.45767622 0.91535243 0.75000000 1.0 O O91 1 0.54232378 0.08464757 0.25000000 1.0 O O92 1 0.22960585 0.77039415 0.75000000 1.0 O O93 1 0.77039415 0.22960585 0.25000000 1.0 O O94 1 0.54078829 0.77039415 0.75000000 1.0 O O95 1 0.45921171 0.22960585 0.25000000 1.0 O O96 1 0.22960585 0.45921171 0.75000000 1.0 O O97 1 0.77039415 0.54078829 0.25000000 1.0 O O98 1 0.66666700 0.33333300 0.93095717 1.0 O O99 1 0.33333300 0.66666700 0.06904283 1.0 O O100 1 0.33333300 0.66666700 0.43095717 1.0 O O101 1 0.66666700 0.33333300 0.56904283 1.0 O O102 1 0.87603504 0.12396496 0.86467524 1.0 O O103 1 0.12396496 0.87603504 0.13532476 1.0 O O104 1 0.24792991 0.12396496 0.86467524 1.0 O O105 1 0.12396496 0.87603504 0.36467524 1.0 O O106 1 0.75207009 0.87603504 0.13532476 1.0 O O107 1 0.87603504 0.12396496 0.63532476 1.0 O O108 1 0.87603504 0.75207009 0.86467524 1.0 O O109 1 0.75207009 0.87603504 0.36467524 1.0 O O110 1 0.12396496 0.24792991 0.13532476 1.0 O O111 1 0.24792991 0.12396496 0.63532476 1.0 O O112 1 0.12396496 0.24792991 0.36467524 1.0 O O113 1 0.87603504 0.75207009 0.63532476 1.0