# generated using pymatgen data_V3OF7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02737300 _cell_length_b 9.97051000 _cell_length_c 15.35959800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V3OF7 _chemical_formula_sum 'V12 O4 F28' _cell_volume 616.76408586 _cell_formula_units_Z 4 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 V V0 1 0.48922000 0.25000000 0.03979400 1.0 V V1 1 0.49570200 0.57344600 0.17929800 1.0 V V2 1 0.49570200 0.92655400 0.17929800 1.0 V V3 1 0.99570200 0.07344600 0.32070200 1.0 V V4 1 0.99570200 0.42655400 0.32070200 1.0 V V5 1 0.98922000 0.75000000 0.46020600 1.0 V V6 1 0.01078000 0.25000000 0.53979400 1.0 V V7 1 0.00429800 0.57344600 0.67929800 1.0 V V8 1 0.00429800 0.92655400 0.67929800 1.0 V V9 1 0.50429800 0.07344600 0.82070200 1.0 V V10 1 0.50429800 0.42655400 0.82070200 1.0 V V11 1 0.51078000 0.75000000 0.96020600 1.0 O O12 1 0.49481400 0.75000000 0.20721100 1.0 O O13 1 0.99481400 0.25000000 0.29278900 1.0 O O14 1 0.00518600 0.75000000 0.70721100 1.0 O O15 1 0.50518600 0.25000000 0.79278900 1.0 F F16 1 0.98903000 0.25000000 0.03675100 1.0 F F17 1 0.51072500 0.61378300 0.05240900 1.0 F F18 1 0.51072500 0.88621700 0.05240900 1.0 F F19 1 0.49006800 0.11617300 0.13419500 1.0 F F20 1 0.49006800 0.38382700 0.13419500 1.0 F F21 1 0.99483500 0.96542800 0.19840400 1.0 F F22 1 0.99483500 0.53457200 0.19840400 1.0 F F23 1 0.49483500 0.03457200 0.30159600 1.0 F F24 1 0.49483500 0.46542800 0.30159600 1.0 F F25 1 0.99006800 0.61617300 0.36580500 1.0 F F26 1 0.99006800 0.88382700 0.36580500 1.0 F F27 1 0.01072500 0.11378300 0.44759100 1.0 F F28 1 0.01072500 0.38621700 0.44759100 1.0 F F29 1 0.48903000 0.75000000 0.46324900 1.0 F F30 1 0.51097000 0.25000000 0.53675100 1.0 F F31 1 0.98927500 0.61378300 0.55240900 1.0 F F32 1 0.98927500 0.88621700 0.55240900 1.0 F F33 1 0.00993200 0.11617300 0.63419500 1.0 F F34 1 0.00993200 0.38382700 0.63419500 1.0 F F35 1 0.50516500 0.53457200 0.69840400 1.0 F F36 1 0.50516500 0.96542800 0.69840400 1.0 F F37 1 0.00516500 0.03457200 0.80159600 1.0 F F38 1 0.00516500 0.46542800 0.80159600 1.0 F F39 1 0.50993200 0.61617300 0.86580500 1.0 F F40 1 0.50993200 0.88382700 0.86580500 1.0 F F41 1 0.48927500 0.11378300 0.94759100 1.0 F F42 1 0.48927500 0.38621700 0.94759100 1.0 F F43 1 0.01097000 0.75000000 0.96324900 1.0