# generated using pymatgen data_NaTaP7Ru12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.31383201 _cell_length_b 9.31383118 _cell_length_c 3.88125207 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000456 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTaP7Ru12 _chemical_formula_sum 'Na1 Ta1 P7 Ru12' _cell_volume 291.58100140 _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 Na Na0 1 0.33333300 0.66666700 0.00000000 1.0 Ta Ta1 1 0.66666700 0.33333300 0.50000000 1.0 P P2 1 0.60071640 0.72202542 0.50000000 1.0 P P3 1 0.00000000 0.00000000 0.00000000 1.0 P P4 1 0.27797458 0.87869198 0.50000000 1.0 P P5 1 0.12130802 0.39928360 0.50000000 1.0 P P6 1 0.88908623 0.57063192 0.00000000 1.0 P P7 1 0.42936808 0.31845530 0.00000000 1.0 P P8 1 0.68154470 0.11091377 0.00000000 1.0 Ru Ru9 1 0.55981384 0.96582443 0.50000000 1.0 Ru Ru10 1 0.40601159 0.44018616 0.50000000 1.0 Ru Ru11 1 0.91653518 0.12091120 0.50000000 1.0 Ru Ru12 1 0.20437702 0.08346482 0.50000000 1.0 Ru Ru13 1 0.87908880 0.79562298 0.50000000 1.0 Ru Ru14 1 0.72461541 0.88682028 0.00000000 1.0 Ru Ru15 1 0.11317972 0.83779513 0.00000000 1.0 Ru Ru16 1 0.16220487 0.27538459 0.00000000 1.0 Ru Ru17 1 0.42734805 0.08173948 0.00000000 1.0 Ru Ru18 1 0.91826052 0.34560957 0.00000000 1.0 Ru Ru19 1 0.65439043 0.57265195 0.00000000 1.0 Ru Ru20 1 0.03417557 0.59398841 0.50000000 1.0