# generated using pymatgen data_Pa3(GeRu)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51669961 _cell_length_b 7.77020598 _cell_length_c 13.06943490 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pa3(GeRu)2 _chemical_formula_sum 'Pa12 Ge8 Ru8' _cell_volume 560.23298930 _cell_formula_units_Z 4 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 Pa Pa0 1 0.16557375 0.39617645 0.59900866 1.0 Pa Pa1 1 0.83442625 0.60382355 0.09900866 1.0 Pa Pa2 1 0.16557375 0.10382355 0.40099134 1.0 Pa Pa3 1 0.83442625 0.89617645 0.90099134 1.0 Pa Pa4 1 0.83442625 0.60382355 0.40099134 1.0 Pa Pa5 1 0.16557375 0.39617645 0.90099134 1.0 Pa Pa6 1 0.83442625 0.89617645 0.59900866 1.0 Pa Pa7 1 0.16557375 0.10382355 0.09900866 1.0 Pa Pa8 1 0.62159652 0.26443108 0.75000000 1.0 Pa Pa9 1 0.37840348 0.73556892 0.25000000 1.0 Pa Pa10 1 0.62159652 0.23556892 0.25000000 1.0 Pa Pa11 1 0.37840348 0.76443108 0.75000000 1.0 Ge Ge12 1 0.11072694 0.10919113 0.75000000 1.0 Ge Ge13 1 0.88927306 0.89080887 0.25000000 1.0 Ge Ge14 1 0.11072694 0.39080887 0.25000000 1.0 Ge Ge15 1 0.88927306 0.60919113 0.75000000 1.0 Ge Ge16 1 0.69246050 0.25000000 0.50000000 1.0 Ge Ge17 1 0.30753950 0.75000000 0.00000000 1.0 Ge Ge18 1 0.30753950 0.75000000 0.50000000 1.0 Ge Ge19 1 0.69246050 0.25000000 0.00000000 1.0 Ru Ru20 1 0.37717054 0.04505200 0.59406033 1.0 Ru Ru21 1 0.62282946 0.95494800 0.09406033 1.0 Ru Ru22 1 0.37717054 0.45494800 0.40593967 1.0 Ru Ru23 1 0.62282946 0.54505200 0.90593967 1.0 Ru Ru24 1 0.62282946 0.95494800 0.40593967 1.0 Ru Ru25 1 0.37717054 0.04505200 0.90593967 1.0 Ru Ru26 1 0.62282946 0.54505200 0.59406033 1.0 Ru Ru27 1 0.37717054 0.45494800 0.09406033 1.0