# generated using pymatgen data_V3BO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11685000 _cell_length_b 9.58604200 _cell_length_c 12.71299200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V3BO5 _chemical_formula_sum 'V12 B4 O20' _cell_volume 379.84201689 _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 0.50000000 0.00409800 0.22083800 1.0 V V1 1 0.50000000 0.99590200 0.77916200 1.0 V V2 1 0.50000000 0.49590200 0.72083800 1.0 V V3 1 0.50000000 0.50409800 0.27916200 1.0 V V4 1 0.50000000 0.00000000 0.50000000 1.0 V V5 1 0.50000000 0.50000000 0.00000000 1.0 V V6 1 0.00000000 0.24370700 0.38763400 1.0 V V7 1 0.00000000 0.75629300 0.61236600 1.0 V V8 1 0.00000000 0.25629300 0.88763400 1.0 V V9 1 0.00000000 0.74370700 0.11236600 1.0 V V10 1 0.00000000 0.00000000 0.00000000 1.0 V V11 1 0.00000000 0.50000000 0.50000000 1.0 B B12 1 0.00000000 0.27497700 0.14027200 1.0 B B13 1 0.00000000 0.72502300 0.85972800 1.0 B B14 1 0.00000000 0.22502300 0.64027200 1.0 B B15 1 0.00000000 0.77497700 0.35972800 1.0 O O16 1 0.00000000 0.34709300 0.04489700 1.0 O O17 1 0.00000000 0.65290700 0.95510300 1.0 O O18 1 0.00000000 0.15290700 0.54489700 1.0 O O19 1 0.00000000 0.84709300 0.45510300 1.0 O O20 1 0.00000000 0.12966800 0.14139900 1.0 O O21 1 0.00000000 0.87033200 0.85860100 1.0 O O22 1 0.00000000 0.37033200 0.64139900 1.0 O O23 1 0.00000000 0.62966800 0.35860100 1.0 O O24 1 0.50000000 0.11556500 0.36070100 1.0 O O25 1 0.50000000 0.88443500 0.63929900 1.0 O O26 1 0.50000000 0.38443500 0.86070100 1.0 O O27 1 0.50000000 0.61556500 0.13929900 1.0 O O28 1 0.00000000 0.34798600 0.23540600 1.0 O O29 1 0.00000000 0.65201400 0.76459400 1.0 O O30 1 0.00000000 0.15201400 0.73540600 1.0 O O31 1 0.00000000 0.84798600 0.26459400 1.0 O O32 1 0.50000000 0.38682700 0.42205300 1.0 O O33 1 0.50000000 0.61317300 0.57794700 1.0 O O34 1 0.50000000 0.11317300 0.92205300 1.0 O O35 1 0.50000000 0.88682700 0.07794700 1.0