# generated using pymatgen data_ZnRu5O12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52982466 _cell_length_b 4.52982480 _cell_length_c 9.27268336 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.29661814 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnRu5O12 _chemical_formula_sum 'Zn1 Ru5 O12' _cell_volume 190.26653399 _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 Zn Zn0 1 0.00000000 0.00000000 0.00000000 1.0 Ru Ru1 1 0.00000000 0.00000000 0.33151857 1.0 Ru Ru2 1 0.00000000 0.00000000 0.66848143 1.0 Ru Ru3 1 0.50000000 0.50000000 0.16590033 1.0 Ru Ru4 1 0.50000000 0.50000000 0.50000000 1.0 Ru Ru5 1 0.50000000 0.50000000 0.83409967 1.0 O O6 1 0.19427695 0.19427695 0.50000000 1.0 O O7 1 0.20490609 0.20490609 0.18024470 1.0 O O8 1 0.20490609 0.20490609 0.81975530 1.0 O O9 1 0.69676820 0.30323180 0.33719603 1.0 O O10 1 0.69676820 0.30323180 0.66280397 1.0 O O11 1 0.69009760 0.30990240 0.00000000 1.0 O O12 1 0.30990240 0.69009760 0.00000000 1.0 O O13 1 0.30323180 0.69676820 0.33719603 1.0 O O14 1 0.30323180 0.69676820 0.66280397 1.0 O O15 1 0.79509391 0.79509391 0.18024470 1.0 O O16 1 0.79509391 0.79509391 0.81975530 1.0 O O17 1 0.80572305 0.80572305 0.50000000 1.0