# generated using pymatgen data_CsTiF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.97524430 _cell_length_b 7.97513111 _cell_length_c 6.45307158 _cell_angle_alpha 90.00031635 _cell_angle_beta 89.99961737 _cell_angle_gamma 89.99903508 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsTiF4 _chemical_formula_sum 'Cs4 Ti4 F16' _cell_volume 410.43870564 _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 Cs Cs0 1 -0.00001714 -0.00000038 0.49999223 1.0 Cs Cs1 1 0.50001823 0.50000051 0.50000972 1.0 Cs Cs2 1 0.00000556 0.49999968 0.43575682 1.0 Cs Cs3 1 0.49999457 0.00000026 0.56424435 1.0 Ti Ti4 1 0.74999899 0.25000137 -0.00000680 1.0 Ti Ti5 1 0.74999731 0.74999929 0.00000027 1.0 Ti Ti6 1 0.24999678 0.25000046 0.00000039 1.0 Ti Ti7 1 0.24999692 0.74999945 0.00000200 1.0 F F8 1 0.74442473 0.49999596 0.06286682 1.0 F F9 1 0.00001269 0.75557972 0.06286578 1.0 F F10 1 0.00000163 0.24441305 0.06286474 1.0 F F11 1 0.25557352 0.49999296 0.06285988 1.0 F F12 1 0.75557347 0.00000300 0.93713678 1.0 F F13 1 0.24442465 0.00000499 0.93714007 1.0 F F14 1 0.49999506 0.74441679 0.93713531 1.0 F F15 1 0.50000407 0.25558671 0.93713466 1.0 F F16 1 0.71173001 0.21173934 0.28549161 1.0 F F17 1 0.71172587 0.78826183 0.28548899 1.0 F F18 1 0.28826420 0.21174268 0.28548033 1.0 F F19 1 0.28827379 0.78826545 0.28547595 1.0 F F20 1 0.78827257 0.71173839 0.71451354 1.0 F F21 1 0.21173403 0.28825759 0.71451699 1.0 F F22 1 0.21172438 0.71173504 0.71452337 1.0 F F23 1 0.78827409 0.28826585 0.71450622 1.0