# generated using pymatgen data_V3Fe2Cu(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.46833434 _cell_length_b 8.46833434 _cell_length_c 8.46833470 _cell_angle_alpha 61.34857915 _cell_angle_beta 61.34857915 _cell_angle_gamma 61.34857532 _symmetry_Int_Tables_number 1 _chemical_formula_structural V3Fe2Cu(PO4)6 _chemical_formula_sum 'V3 Fe2 Cu1 P6 O24' _cell_volume 442.42986178 _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 0.35655500 0.35655500 0.35655500 1.0 V V1 1 0.14134500 0.14134500 0.14134500 1.0 V V2 1 0.64323000 0.64323000 0.64323000 1.0 Fe Fe3 1 0.99677200 0.99677200 0.99677200 1.0 Fe Fe4 1 0.49898000 0.49898000 0.49898000 1.0 Cu Cu5 1 0.85560700 0.85560700 0.85560700 1.0 P P6 1 0.04397000 0.75198000 0.45778700 1.0 P P7 1 0.45778700 0.04397000 0.75198000 1.0 P P8 1 0.75198000 0.45778700 0.04397000 1.0 P P9 1 0.25026700 0.54270900 0.95778400 1.0 P P10 1 0.54270900 0.95778400 0.25026700 1.0 P P11 1 0.95778400 0.25026700 0.54270900 1.0 O O12 1 0.49679500 0.87935200 0.68924800 1.0 O O13 1 0.68924800 0.49679500 0.87935200 1.0 O O14 1 0.87935200 0.68924800 0.49679500 1.0 O O15 1 0.05811300 0.91140600 0.25799100 1.0 O O16 1 0.01974500 0.81080700 0.61105600 1.0 O O17 1 0.24094200 0.58792100 0.43209500 1.0 O O18 1 0.25799100 0.05811300 0.91140600 1.0 O O19 1 0.43209500 0.24094200 0.58792100 1.0 O O20 1 0.18700100 0.37939100 0.99663500 1.0 O O21 1 0.58792100 0.43209500 0.24094200 1.0 O O22 1 0.09541100 0.73528000 0.94993500 1.0 O O23 1 0.37939100 0.99663500 0.18700100 1.0 O O24 1 0.61105600 0.01974500 0.81080700 1.0 O O25 1 0.91140600 0.25799100 0.05811300 1.0 O O26 1 0.41510500 0.55327300 0.76159200 1.0 O O27 1 0.81080700 0.61105600 0.01974500 1.0 O O28 1 0.55327300 0.76159200 0.41510500 1.0 O O29 1 0.73528000 0.94993500 0.09541100 1.0 O O30 1 0.76159200 0.41510500 0.55327300 1.0 O O31 1 0.99663500 0.18700100 0.37939100 1.0 O O32 1 0.94993500 0.09541100 0.73528000 1.0 O O33 1 0.11523200 0.32640400 0.49228500 1.0 O O34 1 0.32640400 0.49228500 0.11523200 1.0 O O35 1 0.49228500 0.11523200 0.32640400 1.0