# generated using pymatgen data_Zr9Ta4O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.77080993 _cell_length_b 8.77081064 _cell_length_c 8.62673860 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000477 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr9Ta4O3 _chemical_formula_sum 'Zr18 Ta8 O6' _cell_volume 574.72049307 _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 Zr Zr0 1 0.45314880 0.90629861 0.25000000 1.0 Zr Zr1 1 0.54685120 0.09370139 0.75000000 1.0 Zr Zr2 1 0.09370139 0.54685120 0.25000000 1.0 Zr Zr3 1 0.90629861 0.45314880 0.75000000 1.0 Zr Zr4 1 0.45314880 0.54685120 0.25000000 1.0 Zr Zr5 1 0.54685120 0.45314880 0.75000000 1.0 Zr Zr6 1 0.20692763 0.41385626 0.56208027 1.0 Zr Zr7 1 0.79307237 0.58614374 0.43791973 1.0 Zr Zr8 1 0.58614374 0.79307237 0.56208027 1.0 Zr Zr9 1 0.79307237 0.58614374 0.06208027 1.0 Zr Zr10 1 0.41385626 0.20692763 0.43791973 1.0 Zr Zr11 1 0.20692763 0.41385626 0.93791973 1.0 Zr Zr12 1 0.20692763 0.79307237 0.56208027 1.0 Zr Zr13 1 0.41385626 0.20692763 0.06208027 1.0 Zr Zr14 1 0.79307237 0.20692763 0.43791973 1.0 Zr Zr15 1 0.58614374 0.79307237 0.93791973 1.0 Zr Zr16 1 0.79307237 0.20692763 0.06208027 1.0 Zr Zr17 1 0.20692763 0.79307237 0.93791973 1.0 Ta Ta18 1 0.11139705 0.22279310 0.25000000 1.0 Ta Ta19 1 0.88860295 0.77720690 0.75000000 1.0 Ta Ta20 1 0.77720690 0.88860295 0.25000000 1.0 Ta Ta21 1 0.22279310 0.11139705 0.75000000 1.0 Ta Ta22 1 0.11139705 0.88860295 0.25000000 1.0 Ta Ta23 1 0.88860295 0.11139705 0.75000000 1.0 Ta Ta24 1 0.00000000 0.00000000 0.00000000 1.0 Ta Ta25 1 0.00000000 0.00000000 0.50000000 1.0 O O26 1 0.50000000 0.00000000 0.00000000 1.0 O O27 1 0.00000000 0.50000000 0.00000000 1.0 O O28 1 0.50000000 0.00000000 0.50000000 1.0 O O29 1 0.50000000 0.50000000 0.00000000 1.0 O O30 1 0.00000000 0.50000000 0.50000000 1.0 O O31 1 0.50000000 0.50000000 0.50000000 1.0