# generated using pymatgen data_Nb5OF14 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.87483000 _cell_length_b 7.20800693 _cell_length_c 9.33389193 _cell_angle_alpha 105.48089213 _cell_angle_beta 108.15543670 _cell_angle_gamma 89.41172282 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb5OF14 _chemical_formula_sum 'Nb5 O1 F14' _cell_volume 360.79874890 _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 Nb Nb0 1 0.40346900 0.09620500 0.29863100 1.0 Nb Nb1 1 0.59653100 0.90379500 0.70136900 1.0 Nb Nb2 1 0.81332400 0.68366000 0.09086400 1.0 Nb Nb3 1 0.00000000 0.50000000 0.50000000 1.0 Nb Nb4 1 0.18667600 0.31634000 0.90913600 1.0 O O5 1 0.00000000 0.50000000 0.00000000 1.0 F F6 1 0.90371400 0.10087200 0.80099300 1.0 F F7 1 0.30029900 0.19904200 0.09990300 1.0 F F8 1 0.20050200 0.29989300 0.39957800 1.0 F F9 1 0.39520600 0.10536000 0.80263800 1.0 F F10 1 0.79949800 0.70010700 0.60042200 1.0 F F11 1 0.50000000 0.00000000 0.50000000 1.0 F F12 1 0.09628600 0.89912800 0.19900700 1.0 F F13 1 0.70247000 0.30057600 0.40061100 1.0 F F14 1 0.29753000 0.69942400 0.59938900 1.0 F F15 1 0.60479400 0.89464000 0.19736200 1.0 F F16 1 0.69970100 0.80095800 0.90009700 1.0 F F17 1 0.10153800 0.39858400 0.70120200 1.0 F F18 1 0.89846200 0.60141600 0.29879800 1.0 F F19 1 0.50000000 0.50000000 0.00000000 1.0