# generated using pymatgen data_Ti19O30 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07803155 _cell_length_b 5.46465669 _cell_length_c 21.33538931 _cell_angle_alpha 93.94648441 _cell_angle_beta 96.84467509 _cell_angle_gamma 117.74019169 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti19O30 _chemical_formula_sum 'Ti19 O30' _cell_volume 515.03916108 _cell_formula_units_Z 1 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 Ti Ti0 1 0.59966859 0.11008131 0.06483530 1.0 Ti Ti1 1 0.97373203 0.79035358 0.16253037 1.0 Ti Ti2 1 0.78498766 0.20215848 0.36811572 1.0 Ti Ti3 1 0.81447380 0.09801799 0.53085400 1.0 Ti Ti4 1 0.98846537 0.30479359 0.66990276 1.0 Ti Ti5 1 0.61289040 0.00030161 0.22845610 1.0 Ti Ti6 1 0.38343433 0.50167728 0.26875822 1.0 Ti Ti7 1 0.21267216 0.30058961 0.13001780 1.0 Ti Ti8 1 0.41390176 0.39738699 0.43035661 1.0 Ti Ti9 1 0.77599439 0.69312612 0.87206610 1.0 Ti Ti10 1 0.58664463 0.60422348 0.56884491 1.0 Ti Ti11 1 0.61977822 0.50239408 0.73148694 1.0 Ti Ti12 1 0.38626062 0.00345364 0.76971934 1.0 Ti Ti13 1 0.18484590 0.90251253 0.46821870 1.0 Ti Ti14 1 0.01321195 0.69919829 0.32868044 1.0 Ti Ti15 1 0.21588883 0.79967787 0.63108598 1.0 Ti Ti16 1 0.01785519 0.20236089 0.83346415 1.0 Ti Ti17 1 0.41703450 0.90064126 0.93216248 1.0 Ti Ti18 1 0.19846631 0.41268709 0.97614350 1.0 O O19 1 0.98485108 0.15030852 0.44971189 1.0 O O20 1 0.96191677 0.47368360 0.11673655 1.0 O O21 1 0.83449075 0.94247977 0.09497979 1.0 O O22 1 0.64767634 0.32389935 0.28677603 1.0 O O23 1 0.83702075 0.57599160 0.41178886 1.0 O O24 1 0.41737799 0.05869087 0.14946228 1.0 O O25 1 0.81747148 0.25301915 0.75060156 1.0 O O26 1 0.36825561 0.32669710 0.05177505 1.0 O O27 1 0.78753649 0.55208074 0.64979506 1.0 O O28 1 0.36175013 0.02458753 0.38641782 1.0 O O29 1 0.56285265 0.62580441 0.18792011 1.0 O O30 1 0.96267899 0.82877885 0.78826503 1.0 O O31 1 0.74833147 0.87682701 0.31191878 1.0 O O32 1 0.55091197 0.27609174 0.51233303 1.0 O O33 1 0.76993158 0.20320545 0.98589917 1.0 O O34 1 0.44858831 0.72485727 0.48693260 1.0 O O35 1 0.25269977 0.12732059 0.68747697 1.0 O O36 1 0.28190309 0.78359544 0.01441785 1.0 O O37 1 0.04378731 0.17220114 0.21407727 1.0 O O38 1 0.63906898 0.97779331 0.61283639 1.0 O O39 1 0.43397963 0.37718904 0.81162548 1.0 O O40 1 0.21376753 0.45206466 0.34997774 1.0 O O41 1 0.57291944 0.62217634 0.94111070 1.0 O O42 1 0.18410835 0.74987435 0.24857570 1.0 O O43 1 0.58645527 0.95181121 0.84987176 1.0 O O44 1 0.16329347 0.42557493 0.58728846 1.0 O O45 1 0.14440318 0.06838058 0.91364416 1.0 O O46 1 0.35384897 0.67864929 0.71265843 1.0 O O47 1 0.03876184 0.52348315 0.88876325 1.0 O O48 1 0.01532419 0.85063532 0.54962878 1.0