# generated using pymatgen data_Ca2Y3Si3O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.91378200 _cell_length_b 9.46857500 _cell_length_c 9.46917283 _cell_angle_alpha 60.05729931 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2Y3Si3O13 _chemical_formula_sum 'Ca4 Y6 Si6 O26' _cell_volume 537.14736071 _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 0.98279100 0.33092400 0.33587300 1.0 Ca Ca1 1 0.48279100 0.66907600 0.66412700 1.0 Ca Ca2 1 0.48734200 0.33115600 0.33402900 1.0 Ca Ca3 1 0.98734200 0.66884400 0.66597100 1.0 Y Y4 1 0.23271500 0.99340200 0.76157200 1.0 Y Y5 1 0.73271500 0.00659800 0.23842800 1.0 Y Y6 1 0.23336300 0.75754700 0.24648400 1.0 Y Y7 1 0.73336300 0.24245300 0.75351600 1.0 Y Y8 1 0.73349700 0.75404200 0.00558900 1.0 Y Y9 1 0.23349700 0.24595800 0.99441100 1.0 Si Si10 1 0.23430500 0.60765300 0.02340000 1.0 Si Si11 1 0.73430500 0.39234700 0.97660000 1.0 Si Si12 1 0.23401500 0.36722200 0.61038200 1.0 Si Si13 1 0.73401500 0.63277800 0.38961800 1.0 Si Si14 1 0.73340700 0.97740700 0.63185600 1.0 Si Si15 1 0.23340700 0.02259300 0.36814400 1.0 O O16 1 0.73304800 0.52477300 0.29909800 1.0 O O17 1 0.23304800 0.47522700 0.70090200 1.0 O O18 1 0.23637100 0.11413500 0.47646500 1.0 O O19 1 0.73637100 0.88586500 0.52353500 1.0 O O20 1 0.23689600 0.40794500 0.11688100 1.0 O O21 1 0.73689600 0.59205500 0.88311900 1.0 O O22 1 0.23374700 0.69929200 0.82494800 1.0 O O23 1 0.73374700 0.30070800 0.17505200 1.0 O O24 1 0.23743800 0.47387400 0.41052800 1.0 O O25 1 0.73743800 0.52612600 0.58947200 1.0 O O26 1 0.73270000 0.17628300 0.52614400 1.0 O O27 1 0.23270000 0.82371700 0.47385600 1.0 O O28 1 0.04760300 0.66693300 0.08959400 1.0 O O29 1 0.54760300 0.33306700 0.91040600 1.0 O O30 1 0.41903700 0.67174900 0.08715100 1.0 O O31 1 0.91903700 0.32825100 0.91284900 1.0 O O32 1 0.04707200 0.24223200 0.66808600 1.0 O O33 1 0.54707200 0.75776800 0.33191400 1.0 O O34 1 0.41818700 0.23903100 0.67538100 1.0 O O35 1 0.91818700 0.76096900 0.32461900 1.0 O O36 1 0.54682000 0.90972700 0.75706700 1.0 O O37 1 0.04682000 0.09027300 0.24293300 1.0 O O38 1 0.91889800 0.91239000 0.75863800 1.0 O O39 1 0.41889800 0.08761000 0.24136200 1.0 O O40 1 0.23004900 0.99948900 0.00193500 1.0 O O41 1 0.73004900 0.00051100 0.99806500 1.0