# generated using pymatgen data_Ta3Zn2AsRu6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36568345 _cell_length_b 6.15146976 _cell_length_c 13.04626655 _cell_angle_alpha 90.00034188 _cell_angle_beta 89.99992004 _cell_angle_gamma 90.00025664 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3Zn2AsRu6 _chemical_formula_sum 'Ta6 Zn4 As2 Ru12' _cell_volume 350.36231206 _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 Ta Ta0 1 0.00000905 0.49999485 0.99377872 1.0 Ta Ta1 1 0.49986791 0.00000670 0.17290604 1.0 Ta Ta2 1 0.99984101 0.49999816 0.34141252 1.0 Ta Ta3 1 0.50001004 0.99999979 0.50190971 1.0 Ta Ta4 1 0.00015145 0.49999800 0.66473064 1.0 Ta Ta5 1 0.50014638 0.99999822 0.82526116 1.0 Zn Zn6 1 0.99987863 0.99999975 0.33407798 1.0 Zn Zn7 1 0.50000243 0.50000084 0.50073273 1.0 Zn Zn8 1 0.00013164 0.00000020 0.66590257 1.0 Zn Zn9 1 0.50016812 0.49999719 0.83255164 1.0 As As10 1 0.99998674 0.99999539 0.99807397 1.0 As As11 1 0.49974076 0.50001057 0.16868097 1.0 Ru Ru12 1 0.49999995 0.24987193 0.00364035 1.0 Ru Ru13 1 0.49999993 0.75012798 0.00364000 1.0 Ru Ru14 1 0.99986713 0.25013645 0.16304073 1.0 Ru Ru15 1 0.99986610 0.74987044 0.16303924 1.0 Ru Ru16 1 0.49985902 0.25294125 0.32909313 1.0 Ru Ru17 1 0.49985897 0.74706213 0.32909330 1.0 Ru Ru18 1 0.00000717 0.24985272 0.49906739 1.0 Ru Ru19 1 0.00000690 0.75014743 0.49906757 1.0 Ru Ru20 1 0.50015322 0.25013339 0.66758157 1.0 Ru Ru21 1 0.50015298 0.74986333 0.66758142 1.0 Ru Ru22 1 0.00014462 0.24704727 0.83756957 1.0 Ru Ru23 1 0.00014385 0.75294502 0.83756809 1.0