# generated using pymatgen data_BaTi(SiO3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.65255723 _cell_length_b 6.65255906 _cell_length_c 9.78886771 _cell_angle_alpha 89.99999999 _cell_angle_beta 89.99999936 _cell_angle_gamma 119.99995831 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTi(SiO3)3 _chemical_formula_sum 'Ba2 Ti2 Si6 O18' _cell_volume 375.18082283 _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 Ba Ba0 1 0.66666694 0.33333287 0.49999964 1.0 Ba Ba1 1 0.66666692 0.33333285 0.00000036 1.0 Ti Ti2 1 0.33333325 0.66666692 0.49999977 1.0 Ti Ti3 1 0.33333324 0.66666692 0.00000022 1.0 Si Si4 1 0.21815619 0.92903325 0.24999999 1.0 Si Si5 1 0.21815605 0.28912372 0.75000001 1.0 Si Si6 1 0.71087587 0.92903189 0.75000002 1.0 Si Si7 1 0.71087720 0.78184403 0.24999999 1.0 Si Si8 1 0.07096693 0.28912285 0.24999998 1.0 Si Si9 1 0.07096777 0.78184395 0.75000000 1.0 O O10 1 0.08822747 0.65816730 0.61324403 1.0 O O11 1 0.34183290 0.91177528 0.38675633 1.0 O O12 1 0.56993951 0.91177228 0.61324402 1.0 O O13 1 0.34183264 0.43006018 0.88675589 1.0 O O14 1 0.56993951 0.91177229 0.88675598 1.0 O O15 1 0.08822748 0.65816730 0.88675595 1.0 O O16 1 0.56994258 0.65816723 0.11324379 1.0 O O17 1 0.08822452 0.43005752 0.11324381 1.0 O O18 1 0.25397190 0.19249632 0.24999998 1.0 O O19 1 0.93852495 0.74602880 0.25000002 1.0 O O20 1 0.80750435 0.06147551 0.25000000 1.0 O O21 1 0.80750416 0.74602794 0.75000000 1.0 O O22 1 0.56994258 0.65816722 0.38675622 1.0 O O23 1 0.25397134 0.06147580 0.74999999 1.0 O O24 1 0.93852366 0.19249478 0.75000001 1.0 O O25 1 0.08822455 0.43005751 0.38675620 1.0 O O26 1 0.34183290 0.91177529 0.11324367 1.0 O O27 1 0.34183264 0.43006020 0.61324412 1.0