# generated using pymatgen data_Ta3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92265600 _cell_length_b 9.10856200 _cell_length_c 17.02422600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3O8 _chemical_formula_sum 'Ta12 O32' _cell_volume 608.27143053 _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 Ta Ta0 1 0.00000000 0.68906300 0.25000000 1.0 Ta Ta1 1 0.00000000 0.31093700 0.75000000 1.0 Ta Ta2 1 0.00000000 0.39916200 0.37012700 1.0 Ta Ta3 1 0.00000000 0.60083800 0.62987300 1.0 Ta Ta4 1 0.00000000 0.39916200 0.12987300 1.0 Ta Ta5 1 0.00000000 0.60083800 0.87012700 1.0 Ta Ta6 1 0.00000000 0.81541600 0.44053900 1.0 Ta Ta7 1 0.00000000 0.18458400 0.55946100 1.0 Ta Ta8 1 0.00000000 0.81541600 0.05946100 1.0 Ta Ta9 1 0.00000000 0.18458400 0.94053900 1.0 Ta Ta10 1 0.00000000 0.05681900 0.25000000 1.0 Ta Ta11 1 0.00000000 0.94318100 0.75000000 1.0 O O12 1 0.00000000 0.46109400 0.25000000 1.0 O O13 1 0.00000000 0.53890600 0.75000000 1.0 O O14 1 0.00000000 0.62293000 0.36805200 1.0 O O15 1 0.00000000 0.37707000 0.63194800 1.0 O O16 1 0.00000000 0.62293000 0.13194800 1.0 O O17 1 0.00000000 0.37707000 0.86805200 1.0 O O18 1 0.00000000 0.87755800 0.32480900 1.0 O O19 1 0.00000000 0.12244200 0.67519100 1.0 O O20 1 0.00000000 0.87755800 0.17519100 1.0 O O21 1 0.00000000 0.12244200 0.82480900 1.0 O O22 1 0.00000000 0.19916000 0.33253000 1.0 O O23 1 0.00000000 0.80084000 0.66747000 1.0 O O24 1 0.00000000 0.19916000 0.16747000 1.0 O O25 1 0.00000000 0.80084000 0.83253000 1.0 O O26 1 0.50000000 0.69378100 0.25000000 1.0 O O27 1 0.50000000 0.30621900 0.75000000 1.0 O O28 1 0.00000000 0.33184200 0.47789500 1.0 O O29 1 0.00000000 0.66815800 0.52210500 1.0 O O30 1 0.00000000 0.33184200 0.02210500 1.0 O O31 1 0.00000000 0.66815800 0.97789500 1.0 O O32 1 0.50000000 0.40730000 0.37177600 1.0 O O33 1 0.50000000 0.59270000 0.62822400 1.0 O O34 1 0.50000000 0.40730000 0.12822400 1.0 O O35 1 0.50000000 0.59270000 0.87177600 1.0 O O36 1 0.00000000 0.00000000 0.50000000 1.0 O O37 1 0.00000000 0.00000000 0.00000000 1.0 O O38 1 0.50000000 0.82204800 0.43776800 1.0 O O39 1 0.50000000 0.17795200 0.56223200 1.0 O O40 1 0.50000000 0.82204800 0.06223200 1.0 O O41 1 0.50000000 0.17795200 0.93776800 1.0 O O42 1 0.50000000 0.04909500 0.25000000 1.0 O O43 1 0.50000000 0.95090500 0.75000000 1.0