# generated using pymatgen data_Ti5OF14 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50980794 _cell_length_b 6.75775724 _cell_length_c 8.73978187 _cell_angle_alpha 105.38770669 _cell_angle_beta 108.13941877 _cell_angle_gamma 89.54799932 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti5OF14 _chemical_formula_sum 'Ti5 O1 F14' _cell_volume 297.16507887 _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 0.40345544 0.09529806 0.29664342 1.0 Ti Ti1 1 0.59654456 0.90470194 0.70335658 1.0 Ti Ti2 1 0.81352429 0.68521318 0.09222508 1.0 Ti Ti3 1 0.00000000 0.50000000 0.50000000 1.0 Ti Ti4 1 0.18647571 0.31478682 0.90777492 1.0 O O5 1 0.00000000 0.50000000 0.00000000 1.0 F F6 1 0.91273885 0.09864602 0.79695319 1.0 F F7 1 0.30274222 0.19639543 0.09620288 1.0 F F8 1 0.21100223 0.30175112 0.39537016 1.0 F F9 1 0.41126150 0.11099593 0.80271611 1.0 F F10 1 0.78899777 0.69824888 0.60462984 1.0 F F11 1 0.50000000 0.00000000 0.50000000 1.0 F F12 1 0.08726115 0.90135398 0.20304681 1.0 F F13 1 0.70747641 0.29052271 0.39554636 1.0 F F14 1 0.29252359 0.70947729 0.60445364 1.0 F F15 1 0.58873850 0.88900407 0.19728389 1.0 F F16 1 0.69725778 0.80360457 0.90379712 1.0 F F17 1 0.10491346 0.40172297 0.69746568 1.0 F F18 1 0.89508654 0.59827703 0.30253432 1.0 F F19 1 0.50000000 0.50000000 0.00000000 1.0