# generated using pymatgen data_Ba3Ta6Si4O23 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.15382389 _cell_length_b 9.15382389 _cell_length_c 7.66247500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999921 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3Ta6Si4O23 _chemical_formula_sum 'Ba3 Ta6 Si4 O23' _cell_volume 556.03843384 _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 0.00000000 0.58975700 0.50000000 1.0 Ba Ba1 1 0.41024300 0.41024300 0.50000000 1.0 Ba Ba2 1 0.58975700 0.00000000 0.50000000 1.0 Ta Ta3 1 0.23761100 0.00000000 0.75052500 1.0 Ta Ta4 1 0.00000000 0.23761100 0.24947500 1.0 Ta Ta5 1 0.76238900 0.76238900 0.24947500 1.0 Ta Ta6 1 0.76238900 0.76238900 0.75052500 1.0 Ta Ta7 1 0.23761100 0.00000000 0.24947500 1.0 Ta Ta8 1 0.00000000 0.23761100 0.75052500 1.0 Si Si9 1 0.66666700 0.33333300 0.79010500 1.0 Si Si10 1 0.33333300 0.66666700 0.79010500 1.0 Si Si11 1 0.66666700 0.33333300 0.20989500 1.0 Si Si12 1 0.33333300 0.66666700 0.20989500 1.0 O O13 1 0.17280200 0.17280200 0.73413100 1.0 O O14 1 0.18652700 0.48505400 0.71273400 1.0 O O15 1 0.29852700 0.81347300 0.71273400 1.0 O O16 1 0.18652700 0.48505400 0.28726600 1.0 O O17 1 0.82719800 0.00000000 0.73413100 1.0 O O18 1 0.72013800 0.72013800 0.00000000 1.0 O O19 1 0.82719800 0.00000000 0.26586900 1.0 O O20 1 0.51494600 0.70147300 0.71273400 1.0 O O21 1 0.81347300 0.29852700 0.28726600 1.0 O O22 1 0.27986200 0.00000000 0.00000000 1.0 O O23 1 0.48505400 0.18652700 0.71273400 1.0 O O24 1 0.48505400 0.18652700 0.28726600 1.0 O O25 1 0.70147300 0.51494600 0.28726600 1.0 O O26 1 0.17280200 0.17280200 0.26586900 1.0 O O27 1 0.70147300 0.51494600 0.71273400 1.0 O O28 1 0.00000000 0.27986200 0.00000000 1.0 O O29 1 0.66666700 0.33333300 0.00000000 1.0 O O30 1 0.51494600 0.70147300 0.28726600 1.0 O O31 1 0.00000000 0.82719800 0.73413100 1.0 O O32 1 0.00000000 0.82719800 0.26586900 1.0 O O33 1 0.81347300 0.29852700 0.71273400 1.0 O O34 1 0.33333300 0.66666700 0.00000000 1.0 O O35 1 0.29852700 0.81347300 0.28726600 1.0