# generated using pymatgen data_Nb6O15F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97095000 _cell_length_b 9.13896000 _cell_length_c 17.11437800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb6O15F _chemical_formula_sum 'Nb12 O30 F2' _cell_volume 621.08682262 _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 0.00000000 0.68401600 0.25000000 1.0 Nb Nb1 1 0.00000000 0.31598400 0.75000000 1.0 Nb Nb2 1 0.00000000 0.39729800 0.37312500 1.0 Nb Nb3 1 0.00000000 0.60270200 0.62687500 1.0 Nb Nb4 1 0.00000000 0.39729800 0.12687500 1.0 Nb Nb5 1 0.00000000 0.60270200 0.87312500 1.0 Nb Nb6 1 0.00000000 0.81652900 0.44041900 1.0 Nb Nb7 1 0.00000000 0.18347100 0.55958100 1.0 Nb Nb8 1 0.00000000 0.81652900 0.05958100 1.0 Nb Nb9 1 0.00000000 0.18347100 0.94041900 1.0 Nb Nb10 1 0.00000000 0.05850500 0.25000000 1.0 Nb Nb11 1 0.00000000 0.94149500 0.75000000 1.0 O O12 1 0.00000000 0.46466400 0.25000000 1.0 O O13 1 0.00000000 0.53533600 0.75000000 1.0 O O14 1 0.00000000 0.62102100 0.36497700 1.0 O O15 1 0.00000000 0.37897900 0.63502300 1.0 O O16 1 0.00000000 0.62102100 0.13502300 1.0 O O17 1 0.00000000 0.37897900 0.86497700 1.0 O O18 1 0.00000000 0.87059100 0.32325500 1.0 O O19 1 0.00000000 0.12940900 0.67674500 1.0 O O20 1 0.00000000 0.87059100 0.17674500 1.0 O O21 1 0.00000000 0.12940900 0.82325500 1.0 O O22 1 0.00000000 0.19640500 0.33378800 1.0 O O23 1 0.00000000 0.80359500 0.66621200 1.0 O O24 1 0.00000000 0.19640500 0.16621200 1.0 O O25 1 0.00000000 0.80359500 0.83378800 1.0 O O26 1 0.00000000 0.33699400 0.48091200 1.0 O O27 1 0.00000000 0.66300600 0.51908800 1.0 O O28 1 0.00000000 0.33699400 0.01908800 1.0 O O29 1 0.00000000 0.66300600 0.98091200 1.0 O O30 1 0.50000000 0.40561300 0.37001600 1.0 O O31 1 0.50000000 0.59438700 0.62998400 1.0 O O32 1 0.50000000 0.40561300 0.12998400 1.0 O O33 1 0.50000000 0.59438700 0.87001600 1.0 O O34 1 0.00000000 0.00000000 0.50000000 1.0 O O35 1 0.00000000 0.00000000 0.00000000 1.0 O O36 1 0.50000000 0.81938800 0.43878800 1.0 O O37 1 0.50000000 0.18061200 0.56121200 1.0 O O38 1 0.50000000 0.81938800 0.06121200 1.0 O O39 1 0.50000000 0.18061200 0.93878800 1.0 O O40 1 0.50000000 0.04707600 0.25000000 1.0 O O41 1 0.50000000 0.95292400 0.75000000 1.0 F F42 1 0.50000000 0.69479000 0.25000000 1.0 F F43 1 0.50000000 0.30521000 0.75000000 1.0