# generated using pymatgen data_Ba4Ta10NiO30 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.03740521 _cell_length_b 10.03740521 _cell_length_c 10.03740521 _cell_angle_alpha 133.57749960 _cell_angle_beta 117.90682352 _cell_angle_gamma 80.94571598 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba4Ta10NiO30 _chemical_formula_sum 'Ba4 Ta10 Ni1 O30' _cell_volume 625.46513494 _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 Ba Ba0 1 0.04689400 0.54689400 0.50000000 1.0 Ba Ba1 1 0.04815300 0.04815300 0.00000000 1.0 Ba Ba2 1 0.45788600 0.45788600 0.00000000 1.0 Ba Ba3 1 0.44634400 0.94634400 0.50000000 1.0 Ta Ta4 1 0.80745700 0.36981000 0.93234800 1.0 Ta Ta5 1 0.80745700 0.87510900 0.43764700 1.0 Ta Ta6 1 0.43746200 0.87510900 0.06765200 1.0 Ta Ta7 1 0.43746200 0.36981000 0.56235300 1.0 Ta Ta8 1 0.25179100 0.50222800 0.25043700 1.0 Ta Ta9 1 0.25179100 0.00135400 0.74956300 1.0 Ta Ta10 1 0.05767300 0.62543500 0.93288600 1.0 Ta Ta11 1 0.05767300 0.12478600 0.43223700 1.0 Ta Ta12 1 0.69254900 0.62543500 0.56776300 1.0 Ta Ta13 1 0.69254900 0.12478600 0.06711400 1.0 Ni Ni14 1 0.72298200 0.72298200 0.00000000 1.0 O O15 1 0.02653400 0.89447500 0.60492300 1.0 O O16 1 0.02653400 0.42161100 0.13205900 1.0 O O17 1 0.28955200 0.89447500 0.86794100 1.0 O O18 1 0.28955200 0.42161100 0.39507700 1.0 O O19 1 0.25690800 0.73839000 0.98676400 1.0 O O20 1 0.25690800 0.27014400 0.51851800 1.0 O O21 1 0.75162600 0.73839000 0.48148200 1.0 O O22 1 0.75162600 0.27014400 0.01323600 1.0 O O23 1 0.21687900 0.59356500 0.11533500 1.0 O O24 1 0.21687900 0.10154400 0.62331500 1.0 O O25 1 0.47823000 0.59356500 0.37668500 1.0 O O26 1 0.47823000 0.10154400 0.88466500 1.0 O O27 1 0.92420700 0.67446000 0.75025300 1.0 O O28 1 0.92420700 0.17395400 0.24974700 1.0 O O29 1 0.05470100 0.37860400 0.67609700 1.0 O O30 1 0.08201500 0.89805200 0.18396300 1.0 O O31 1 0.70250700 0.37860400 0.32390300 1.0 O O32 1 0.71408900 0.89805200 0.81603700 1.0 O O33 1 0.58223200 0.30669500 0.72446300 1.0 O O34 1 0.58223200 0.85776900 0.27553700 1.0 O O35 1 0.81998700 0.12768200 0.69230500 1.0 O O36 1 0.76771500 0.62274200 0.14497300 1.0 O O37 1 0.43537700 0.12768200 0.30769500 1.0 O O38 1 0.47776900 0.62274200 0.85502700 1.0 O O39 1 0.88794700 0.53786100 0.91861800 1.0 O O40 1 0.88794700 0.96932900 0.35008600 1.0 O O41 1 0.61924300 0.96932900 0.08138200 1.0 O O42 1 0.61924300 0.53786100 0.64991400 1.0 O O43 1 0.25824500 0.75824500 0.50000000 1.0 O O44 1 0.24525400 0.24525400 0.00000000 1.0