# generated using pymatgen data_Nb20(O13F7)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88634500 _cell_length_b 4.13265000 _cell_length_c 80.30905100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb20(O13F7)3 _chemical_formula_sum 'Nb20 O39 F21' _cell_volume 1289.83593148 _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 0.00000000 0.00000000 0.00000000 1.0 Nb Nb1 1 0.00000000 0.00000000 0.05257300 1.0 Nb Nb2 1 0.00000000 0.00000000 0.10248900 1.0 Nb Nb3 1 0.00000000 0.00000000 0.15243200 1.0 Nb Nb4 1 0.00000000 0.00000000 0.20245500 1.0 Nb Nb5 1 0.00000000 0.00000000 0.25230000 1.0 Nb Nb6 1 0.00000000 0.00000000 0.30217100 1.0 Nb Nb7 1 0.00000000 0.00000000 0.35205600 1.0 Nb Nb8 1 0.00000000 0.00000000 0.40186100 1.0 Nb Nb9 1 0.00000000 0.00000000 0.45132500 1.0 Nb Nb10 1 0.00000000 0.00000000 0.50000000 1.0 Nb Nb11 1 0.00000000 0.00000000 0.54867500 1.0 Nb Nb12 1 0.00000000 0.00000000 0.59813900 1.0 Nb Nb13 1 0.00000000 0.00000000 0.64794400 1.0 Nb Nb14 1 0.00000000 0.00000000 0.69782900 1.0 Nb Nb15 1 0.00000000 0.00000000 0.74770000 1.0 Nb Nb16 1 0.00000000 0.00000000 0.79754500 1.0 Nb Nb17 1 0.00000000 0.00000000 0.84756800 1.0 Nb Nb18 1 0.00000000 0.00000000 0.89751100 1.0 Nb Nb19 1 0.00000000 0.00000000 0.94742700 1.0 O O20 1 0.00000000 0.00000000 0.07491200 1.0 O O21 1 0.00000000 0.00000000 0.12500000 1.0 O O22 1 0.00000000 0.00000000 0.17489100 1.0 O O23 1 0.50000000 0.00000000 0.14921900 1.0 O O24 1 0.00000000 0.00000000 0.22476300 1.0 O O25 1 0.50000000 0.00000000 0.24907100 1.0 O O26 1 0.00000000 0.00000000 0.27471800 1.0 O O27 1 0.50000000 0.00000000 0.29908800 1.0 O O28 1 0.00000000 0.00000000 0.32466900 1.0 O O29 1 0.50000000 0.00000000 0.34915700 1.0 O O30 1 0.00000000 0.00000000 0.37463500 1.0 O O31 1 0.50000000 0.00000000 0.39930500 1.0 O O32 1 0.00000000 0.00000000 0.42471500 1.0 O O33 1 0.50000000 0.00000000 0.44956800 1.0 O O34 1 0.00000000 0.00000000 0.47490000 1.0 O O35 1 0.50000000 0.00000000 0.50000000 1.0 O O36 1 0.00000000 0.00000000 0.52510000 1.0 O O37 1 0.00000000 0.00000000 0.57528500 1.0 O O38 1 0.50000000 0.00000000 0.55043200 1.0 O O39 1 0.50000000 0.00000000 0.60069500 1.0 O O40 1 0.00000000 0.00000000 0.62536500 1.0 O O41 1 0.00000000 0.00000000 0.67533100 1.0 O O42 1 0.50000000 0.00000000 0.65084300 1.0 O O43 1 0.00000000 0.00000000 0.72528200 1.0 O O44 1 0.50000000 0.00000000 0.70091200 1.0 O O45 1 0.50000000 0.00000000 0.75092900 1.0 O O46 1 0.00000000 0.00000000 0.77523700 1.0 O O47 1 0.00000000 0.00000000 0.82510900 1.0 O O48 1 0.50000000 0.00000000 0.85078100 1.0 O O49 1 0.00000000 0.00000000 0.87500000 1.0 O O50 1 0.00000000 0.00000000 0.92508800 1.0 O O51 1 0.50000000 0.00000000 0.95078200 1.0 O O52 1 0.00000000 0.50000000 0.00000000 1.0 O O53 1 0.50000000 0.00000000 0.00000000 1.0 O O54 1 0.50000000 0.00000000 0.04921800 1.0 O O55 1 0.50000000 0.00000000 0.09931000 1.0 O O56 1 0.50000000 0.00000000 0.19907900 1.0 O O57 1 0.50000000 0.00000000 0.80092100 1.0 O O58 1 0.50000000 0.00000000 0.90069000 1.0 F F59 1 0.00000000 0.00000000 0.97463400 1.0 F F60 1 0.00000000 0.50000000 0.05013100 1.0 F F61 1 0.00000000 0.50000000 0.10006900 1.0 F F62 1 0.00000000 0.50000000 0.14992800 1.0 F F63 1 0.00000000 0.50000000 0.19982800 1.0 F F64 1 0.00000000 0.50000000 0.24979300 1.0 F F65 1 0.00000000 0.50000000 0.29975800 1.0 F F66 1 0.00000000 0.50000000 0.34975900 1.0 F F67 1 0.00000000 0.50000000 0.44998200 1.0 F F68 1 0.00000000 0.50000000 0.39983900 1.0 F F69 1 0.00000000 0.50000000 0.50000000 1.0 F F70 1 0.00000000 0.50000000 0.55001800 1.0 F F71 1 0.00000000 0.50000000 0.60016100 1.0 F F72 1 0.00000000 0.50000000 0.65024100 1.0 F F73 1 0.00000000 0.50000000 0.70024200 1.0 F F74 1 0.00000000 0.50000000 0.75020700 1.0 F F75 1 0.00000000 0.50000000 0.80017200 1.0 F F76 1 0.00000000 0.50000000 0.85007200 1.0 F F77 1 0.00000000 0.50000000 0.89993100 1.0 F F78 1 0.00000000 0.50000000 0.94986900 1.0 F F79 1 0.00000000 0.00000000 0.02536600 1.0