# generated using pymatgen data_Ca5Si3O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.64640320 _cell_length_b 9.64640320 _cell_length_c 6.99487200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999454 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca5Si3O13 _chemical_formula_sum 'Ca10 Si6 O26' _cell_volume 563.69119206 _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 0.66666700 0.33333300 0.00544200 1.0 Ca Ca1 1 0.33333300 0.66666700 0.99455800 1.0 Ca Ca2 1 0.33333300 0.66666700 0.50544200 1.0 Ca Ca3 1 0.66666700 0.33333300 0.49455800 1.0 Ca Ca4 1 0.74687800 0.99412300 0.75000000 1.0 Ca Ca5 1 0.25312200 0.00587700 0.25000000 1.0 Ca Ca6 1 0.24724500 0.25312200 0.75000000 1.0 Ca Ca7 1 0.75275500 0.74687800 0.25000000 1.0 Ca Ca8 1 0.00587700 0.75275500 0.75000000 1.0 Ca Ca9 1 0.99412300 0.24724500 0.25000000 1.0 Si Si10 1 0.97182100 0.36834200 0.75000000 1.0 Si Si11 1 0.02817900 0.63165800 0.25000000 1.0 Si Si12 1 0.39652100 0.02817900 0.75000000 1.0 Si Si13 1 0.60347900 0.97182100 0.25000000 1.0 Si Si14 1 0.63165800 0.60347900 0.75000000 1.0 Si Si15 1 0.36834200 0.39652100 0.25000000 1.0 O O16 1 0.91025600 0.24990600 0.93741500 1.0 O O17 1 0.08974400 0.75009400 0.06258500 1.0 O O18 1 0.33965100 0.08974400 0.93741500 1.0 O O19 1 0.08974400 0.75009400 0.43741500 1.0 O O20 1 0.66034900 0.91025600 0.06258500 1.0 O O21 1 0.91025600 0.24990600 0.56258500 1.0 O O22 1 0.75009400 0.66034900 0.93741500 1.0 O O23 1 0.66034900 0.91025600 0.43741500 1.0 O O24 1 0.24990600 0.33965100 0.06258500 1.0 O O25 1 0.33965100 0.08974400 0.56258500 1.0 O O26 1 0.24990600 0.33965100 0.43741500 1.0 O O27 1 0.75009400 0.66034900 0.56258500 1.0 O O28 1 0.87359400 0.46655600 0.75000000 1.0 O O29 1 0.12640600 0.53344400 0.25000000 1.0 O O30 1 0.59296300 0.12640600 0.75000000 1.0 O O31 1 0.40703700 0.87359400 0.25000000 1.0 O O32 1 0.53344400 0.40703700 0.75000000 1.0 O O33 1 0.46655600 0.59296300 0.25000000 1.0 O O34 1 0.51736700 0.68408800 0.75000000 1.0 O O35 1 0.48263300 0.31591200 0.25000000 1.0 O O36 1 0.16672100 0.48263300 0.75000000 1.0 O O37 1 0.83327900 0.51736700 0.25000000 1.0 O O38 1 0.31591200 0.83327900 0.75000000 1.0 O O39 1 0.68408800 0.16672100 0.25000000 1.0 O O40 1 0.00000000 0.00000000 0.75000000 1.0 O O41 1 0.00000000 0.00000000 0.25000000 1.0