# generated using pymatgen data_Zr3V3O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.80329275 _cell_length_b 8.80329275 _cell_length_c 8.80329275 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3V3O _chemical_formula_sum 'Zr12 V12 O4' _cell_volume 482.41459141 _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 Zr Zr0 1 0.93848900 0.93848900 0.56151100 1.0 Zr Zr1 1 0.68848900 0.31151100 0.31151100 1.0 Zr Zr2 1 0.31151100 0.68848900 0.68848900 1.0 Zr Zr3 1 0.68848900 0.68848900 0.31151100 1.0 Zr Zr4 1 0.68848900 0.31151100 0.68848900 1.0 Zr Zr5 1 0.31151100 0.68848900 0.31151100 1.0 Zr Zr6 1 0.56151100 0.93848900 0.56151100 1.0 Zr Zr7 1 0.56151100 0.93848900 0.93848900 1.0 Zr Zr8 1 0.93848900 0.56151100 0.56151100 1.0 Zr Zr9 1 0.93848900 0.56151100 0.93848900 1.0 Zr Zr10 1 0.31151100 0.31151100 0.68848900 1.0 Zr Zr11 1 0.56151100 0.56151100 0.93848900 1.0 V V12 1 0.12500000 0.62500000 0.12500000 1.0 V V13 1 0.12500000 0.12500000 0.62500000 1.0 V V14 1 0.62500000 0.12500000 0.12500000 1.0 V V15 1 0.12500000 0.12500000 0.12500000 1.0 V V16 1 0.91681900 0.24954300 0.91681900 1.0 V V17 1 0.33318100 0.33318100 0.00045700 1.0 V V18 1 0.00045700 0.33318100 0.33318100 1.0 V V19 1 0.33318100 0.33318100 0.33318100 1.0 V V20 1 0.24954300 0.91681900 0.91681900 1.0 V V21 1 0.91681900 0.91681900 0.91681900 1.0 V V22 1 0.91681900 0.91681900 0.24954300 1.0 V V23 1 0.33318100 0.00045700 0.33318100 1.0 O O24 1 0.62500000 0.12500000 0.62500000 1.0 O O25 1 0.62500000 0.62500000 0.12500000 1.0 O O26 1 0.12500000 0.62500000 0.62500000 1.0 O O27 1 0.62500000 0.62500000 0.62500000 1.0