# generated using pymatgen data_Nb2O2F3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26428400 _cell_length_b 5.79943168 _cell_length_c 7.02718608 _cell_angle_alpha 108.12617429 _cell_angle_beta 110.43038316 _cell_angle_gamma 90.27681621 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2O2F3 _chemical_formula_sum 'Nb4 O4 F6' _cell_volume 189.51070564 _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 Nb Nb0 1 0.41119400 0.31435500 0.32037200 1.0 Nb Nb1 1 0.58880600 0.68564500 0.67962800 1.0 Nb Nb2 1 0.07769900 0.18669900 0.67922800 1.0 Nb Nb3 1 0.92230100 0.81330100 0.32077200 1.0 O O4 1 0.24643100 0.64072600 0.40216600 1.0 O O5 1 0.75356900 0.35927400 0.59783400 1.0 O O6 1 0.16234600 0.13922800 0.40260700 1.0 O O7 1 0.83765400 0.86077200 0.59739300 1.0 F F8 1 0.11589800 0.24885700 0.00320300 1.0 F F9 1 0.88410200 0.75114300 0.99679700 1.0 F F10 1 0.56542100 0.97566900 0.21221500 1.0 F F11 1 0.43457900 0.02433100 0.78778500 1.0 F F12 1 0.66258200 0.47262800 0.20614200 1.0 F F13 1 0.33741800 0.52737200 0.79385800 1.0