# generated using pymatgen data_V3FeCu2(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.56377896 _cell_length_b 8.56377896 _cell_length_c 8.56377819 _cell_angle_alpha 60.19195990 _cell_angle_beta 60.19195990 _cell_angle_gamma 60.19195599 _symmetry_Int_Tables_number 1 _chemical_formula_structural V3FeCu2(PO4)6 _chemical_formula_sum 'V3 Fe1 Cu2 P6 O24' _cell_volume 446.03100329 _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 0.64289400 0.64289400 0.64289400 1.0 V V1 1 0.85774100 0.85774100 0.85774100 1.0 V V2 1 0.35732900 0.35732900 0.35732900 1.0 Fe Fe3 1 0.14290600 0.14290600 0.14290600 1.0 Cu Cu4 1 0.00129600 0.00129600 0.00129600 1.0 Cu Cu5 1 0.50041100 0.50041100 0.50041100 1.0 P P6 1 0.54036900 0.95900800 0.24980100 1.0 P P7 1 0.24980100 0.54036900 0.95900800 1.0 P P8 1 0.95900800 0.24980100 0.54036900 1.0 P P9 1 0.03995700 0.75011700 0.45882000 1.0 P P10 1 0.75011700 0.45882000 0.03995700 1.0 P P11 1 0.45882000 0.03995700 0.75011700 1.0 O O12 1 0.30500600 0.50454600 0.12334700 1.0 O O13 1 0.12334700 0.30500600 0.50454600 1.0 O O14 1 0.50454600 0.12334700 0.30500600 1.0 O O15 1 0.73541700 0.94252400 0.08292400 1.0 O O16 1 0.38090000 0.99042200 0.19650100 1.0 O O17 1 0.56165300 0.76549700 0.41763000 1.0 O O18 1 0.08292400 0.73541700 0.94252400 1.0 O O19 1 0.41763000 0.56165300 0.76549700 1.0 O O20 1 0.00420100 0.80556800 0.62277400 1.0 O O21 1 0.76549700 0.41763000 0.56165300 1.0 O O22 1 0.05344800 0.91327700 0.26677200 1.0 O O23 1 0.80556800 0.62277400 0.00420100 1.0 O O24 1 0.19650100 0.38090000 0.99042200 1.0 O O25 1 0.94252400 0.08292400 0.73541700 1.0 O O26 1 0.23332500 0.58158500 0.44452800 1.0 O O27 1 0.99042200 0.19650100 0.38090000 1.0 O O28 1 0.58158500 0.44452800 0.23332500 1.0 O O29 1 0.91327700 0.26677200 0.05344800 1.0 O O30 1 0.44452800 0.23332500 0.58158500 1.0 O O31 1 0.62277400 0.00420100 0.80556800 1.0 O O32 1 0.26677200 0.05344800 0.91327700 1.0 O O33 1 0.49990100 0.87766800 0.68993500 1.0 O O34 1 0.87766800 0.68993500 0.49990100 1.0 O O35 1 0.68993500 0.49990100 0.87766800 1.0