# generated using pymatgen data_NaTiF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29404673 _cell_length_b 7.60915429 _cell_length_c 8.02927310 _cell_angle_alpha 79.44653225 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTiF4 _chemical_formula_sum 'Na4 Ti4 F16' _cell_volume 317.97370243 _cell_formula_units_Z 4 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 Na Na0 1 0.21378880 0.38767622 0.87076475 1.0 Na Na1 1 0.71378880 0.11232378 0.12923525 1.0 Na Na2 1 0.78621120 0.61232378 0.12923525 1.0 Na Na3 1 0.28621120 0.88767622 0.87076475 1.0 Ti Ti4 1 0.73886745 0.19731313 0.67600330 1.0 Ti Ti5 1 0.23886745 0.30268687 0.32399670 1.0 Ti Ti6 1 0.26113255 0.80268687 0.32399670 1.0 Ti Ti7 1 0.76113255 0.69731313 0.67600330 1.0 F F8 1 0.48150299 0.61652887 0.81330653 1.0 F F9 1 0.98150299 0.88347113 0.18669347 1.0 F F10 1 0.51849701 0.38347113 0.18669347 1.0 F F11 1 0.01849701 0.11652887 0.81330653 1.0 F F12 1 0.97151434 0.68717072 0.87907833 1.0 F F13 1 0.47151434 0.81282928 0.12092167 1.0 F F14 1 0.02848566 0.31282928 0.12092167 1.0 F F15 1 0.52848566 0.18717072 0.87907833 1.0 F F16 1 0.87466544 0.44550190 0.67836630 1.0 F F17 1 0.37466544 0.05449810 0.32163370 1.0 F F18 1 0.12533456 0.55449810 0.32163370 1.0 F F19 1 0.62533456 0.94550190 0.67836630 1.0 F F20 1 0.44814862 0.29494485 0.53949037 1.0 F F21 1 0.94814862 0.20505515 0.46050963 1.0 F F22 1 0.55185138 0.70505515 0.46050963 1.0 F F23 1 0.05185138 0.79494485 0.53949037 1.0