# generated using pymatgen data_VFe3(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.86278251 _cell_length_b 8.86278251 _cell_length_c 8.86278313 _cell_angle_alpha 58.45220494 _cell_angle_beta 58.45220494 _cell_angle_gamma 58.45220252 _symmetry_Int_Tables_number 1 _chemical_formula_structural VFe3(PO4)6 _chemical_formula_sum 'V1 Fe3 P6 O24' _cell_volume 474.82663678 _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 V V0 1 0.85903300 0.85903300 0.85903300 1.0 Fe Fe1 1 0.14346300 0.14346300 0.14346300 1.0 Fe Fe2 1 0.35790900 0.35790900 0.35790900 1.0 Fe Fe3 1 0.64216500 0.64216500 0.64216500 1.0 P P4 1 0.03353700 0.46787400 0.75020600 1.0 P P5 1 0.46787400 0.75020600 0.03353700 1.0 P P6 1 0.75020600 0.03353700 0.46787400 1.0 P P7 1 0.24936500 0.96550800 0.53495900 1.0 P P8 1 0.53495900 0.24936500 0.96550800 1.0 P P9 1 0.96550800 0.53495900 0.24936500 1.0 O O10 1 0.13816700 0.51567300 0.26650300 1.0 O O11 1 0.26650300 0.13816700 0.51567300 1.0 O O12 1 0.06033500 0.28814700 0.92134500 1.0 O O13 1 0.51567300 0.26650300 0.13816700 1.0 O O14 1 0.21005900 0.45216400 0.57556000 1.0 O O15 1 0.99454700 0.64123000 0.78662700 1.0 O O16 1 0.28814700 0.92134500 0.06033500 1.0 O O17 1 0.45216400 0.57556000 0.21005900 1.0 O O18 1 0.57556000 0.21005900 0.45216400 1.0 O O19 1 0.22554100 0.98926000 0.36411900 1.0 O O20 1 0.07100900 0.93201600 0.71500900 1.0 O O21 1 0.36411900 0.22554100 0.98926000 1.0 O O22 1 0.64123000 0.78662700 0.99454700 1.0 O O23 1 0.92134500 0.06033500 0.28814700 1.0 O O24 1 0.78662700 0.99454700 0.64123000 1.0 O O25 1 0.41896000 0.78677600 0.56348400 1.0 O O26 1 0.56348400 0.41896000 0.78677600 1.0 O O27 1 0.71500900 0.07100900 0.93201600 1.0 O O28 1 0.98926000 0.36411900 0.22554100 1.0 O O29 1 0.78677600 0.56348400 0.41896000 1.0 O O30 1 0.49011900 0.72697300 0.86236000 1.0 O O31 1 0.93201600 0.71500900 0.07100900 1.0 O O32 1 0.72697300 0.86236000 0.49011900 1.0 O O33 1 0.86236000 0.49011900 0.72697300 1.0