# generated using pymatgen data_V3Fe2CuO12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.23748100 _cell_length_b 9.98729929 _cell_length_c 6.70119465 _cell_angle_alpha 102.66572056 _cell_angle_beta 102.24644885 _cell_angle_gamma 107.14189571 _symmetry_Int_Tables_number 1 _chemical_formula_structural V3Fe2CuO12 _chemical_formula_sum 'V6 Fe4 Cu2 O24' _cell_volume 490.83271995 _cell_formula_units_Z 2 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 0.76469800 0.22920800 0.16767200 1.0 V V1 1 0.37862500 0.40989200 0.22504700 1.0 V V2 1 0.16681000 0.88006400 0.39832400 1.0 V V3 1 0.83319000 0.11993600 0.60167600 1.0 V V4 1 0.62137500 0.59010800 0.77495300 1.0 V V5 1 0.23530200 0.77079200 0.83232800 1.0 Fe Fe6 1 0.48459600 0.95223500 0.29455800 1.0 Fe Fe7 1 0.89409200 0.62253200 0.56201700 1.0 Fe Fe8 1 0.10590800 0.37746800 0.43798300 1.0 Fe Fe9 1 0.51540400 0.04776500 0.70544200 1.0 Cu Cu10 1 0.73446100 0.74866200 0.23558900 1.0 Cu Cu11 1 0.26553900 0.25133800 0.76441100 1.0 O O12 1 0.32551300 0.82087700 0.05239800 1.0 O O13 1 0.94132900 0.22753400 0.20529800 1.0 O O14 1 0.67583900 0.99972100 0.23082000 1.0 O O15 1 0.28147100 0.32208400 0.99679700 1.0 O O16 1 0.76747100 0.49435900 0.28255500 1.0 O O17 1 0.50679500 0.66144500 0.27858100 1.0 O O18 1 0.07711100 0.84073800 0.18983400 1.0 O O19 1 0.84759300 0.86810800 0.48190800 1.0 O O20 1 0.47626100 0.23500000 0.28173100 1.0 O O21 1 0.35751700 0.91998400 0.43865100 1.0 O O22 1 0.92070400 0.33567600 0.53127200 1.0 O O23 1 0.25636000 0.42549600 0.33754100 1.0 O O24 1 0.74364000 0.57450400 0.66245900 1.0 O O25 1 0.07929600 0.66432400 0.46872800 1.0 O O26 1 0.64248300 0.08001600 0.56134900 1.0 O O27 1 0.52373900 0.76500000 0.71826900 1.0 O O28 1 0.15240700 0.13189200 0.51809200 1.0 O O29 1 0.92288900 0.15926200 0.81016600 1.0 O O30 1 0.49320500 0.33855500 0.72141900 1.0 O O31 1 0.23252900 0.50564100 0.71744500 1.0 O O32 1 0.71852900 0.67791600 0.00320300 1.0 O O33 1 0.32416100 0.00027900 0.76918000 1.0 O O34 1 0.05867100 0.77246600 0.79470200 1.0 O O35 1 0.67448700 0.17912300 0.94760200 1.0