# generated using pymatgen data_KNb3F9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.99393200 _cell_length_b 8.00381558 _cell_length_c 8.34360836 _cell_angle_alpha 89.15385133 _cell_angle_beta 88.99914180 _cell_angle_gamma 60.06314690 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNb3F9 _chemical_formula_sum 'K2 Nb6 F18' _cell_volume 462.53138467 _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 K K0 1 0.96839600 0.51835600 0.24528700 1.0 K K1 1 0.02236400 0.49512600 0.75034500 1.0 Nb Nb2 1 0.49818000 0.99945500 0.99589700 1.0 Nb Nb3 1 0.49934600 0.50020100 0.00328000 1.0 Nb Nb4 1 0.00020300 0.99945300 0.49965700 1.0 Nb Nb5 1 0.99979000 0.99994400 0.99988900 1.0 Nb Nb6 1 0.49945700 0.50017400 0.50321100 1.0 Nb Nb7 1 0.49934600 0.99997300 0.49623100 1.0 F F8 1 0.53846500 0.51200000 0.75252600 1.0 F F9 1 0.45727900 0.05262100 0.24598700 1.0 F F10 1 0.80614800 0.30595100 0.47765700 1.0 F F11 1 0.19285300 0.11294500 0.52036900 1.0 F F12 1 0.80724200 0.30774200 0.02951100 1.0 F F13 1 0.19328600 0.11108700 0.96361000 1.0 F F14 1 0.39456900 0.30121600 0.54258000 1.0 F F15 1 0.60384800 0.69794200 0.45695500 1.0 F F16 1 0.03967200 0.97986400 0.24939300 1.0 F F17 1 0.96004200 0.01815900 0.74998800 1.0 F F18 1 0.39261100 0.30459800 0.96422500 1.0 F F19 1 0.60625800 0.69625400 0.03446200 1.0 F F20 1 0.80730600 0.88580300 0.47215500 1.0 F F21 1 0.19317700 0.69408100 0.52986600 1.0 F F22 1 0.80504900 0.88604500 0.02720900 1.0 F F23 1 0.19236600 0.69351700 0.97931500 1.0 F F24 1 0.54322300 0.94422900 0.74593200 1.0 F F25 1 0.46065400 0.48704600 0.25385500 1.0