# generated using pymatgen data_Ta3Zn2SiRu6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34035366 _cell_length_b 6.12069103 _cell_length_c 13.00008084 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99838031 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3Zn2SiRu6 _chemical_formula_sum 'Ta6 Zn4 Si2 Ru12' _cell_volume 345.35967540 _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 0.00000139 0.00000000 0.99707010 1.0 Ta Ta1 1 0.49991187 0.50000000 0.16956230 1.0 Ta Ta2 1 0.99989712 0.00000000 0.33676138 1.0 Ta Ta3 1 0.50000329 0.50000000 0.50032377 1.0 Ta Ta4 1 0.00007098 0.00000000 0.66631738 1.0 Ta Ta5 1 0.50008645 0.50000000 0.82992700 1.0 Zn Zn6 1 0.99988411 0.50000000 0.33221619 1.0 Zn Zn7 1 0.50000669 0.00000000 0.49934182 1.0 Zn Zn8 1 0.00010456 0.50000000 0.66735201 1.0 Zn Zn9 1 0.50009963 0.00000000 0.83443114 1.0 Si Si10 1 0.99999491 0.50000000 0.99979063 1.0 Si Si11 1 0.49992391 0.00000000 0.16690399 1.0 Ru Ru12 1 0.49999032 0.25278163 0.00379638 1.0 Ru Ru13 1 0.49999032 0.74721937 0.00379638 1.0 Ru Ru14 1 0.99992533 0.24721205 0.16285508 1.0 Ru Ru15 1 0.99992533 0.75278995 0.16285508 1.0 Ru Ru16 1 0.49991108 0.24566783 0.32817650 1.0 Ru Ru17 1 0.49991108 0.75433217 0.32817650 1.0 Ru Ru18 1 0.00000935 0.24967788 0.49931278 1.0 Ru Ru19 1 0.00000935 0.75032112 0.49931278 1.0 Ru Ru20 1 0.50008206 0.25034666 0.66737378 1.0 Ru Ru21 1 0.50008206 0.74965334 0.66737378 1.0 Ru Ru22 1 0.00008891 0.25435781 0.83848811 1.0 Ru Ru23 1 0.00008891 0.74564419 0.83848811 1.0