# generated using pymatgen data_NaZrP7Ru12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.32984966 _cell_length_b 9.32984892 _cell_length_c 3.90225685 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999383 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZrP7Ru12 _chemical_formula_sum 'Na1 Zr1 P7 Ru12' _cell_volume 294.16822982 _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 Zr Zr1 1 0.66666700 0.33333300 0.50000000 1.0 P P2 1 0.60227482 0.72125354 0.50000000 1.0 P P3 1 0.00000000 0.00000000 0.00000000 1.0 P P4 1 0.27874646 0.88102228 0.50000000 1.0 P P5 1 0.11897772 0.39772518 0.50000000 1.0 P P6 1 0.88874267 0.57138903 0.00000000 1.0 P P7 1 0.42861097 0.31735364 0.00000000 1.0 P P8 1 0.68264636 0.11125733 0.00000000 1.0 Ru Ru9 1 0.55837190 0.95976141 0.50000000 1.0 Ru Ru10 1 0.40139051 0.44162810 0.50000000 1.0 Ru Ru11 1 0.91606543 0.12065488 0.50000000 1.0 Ru Ru12 1 0.20459045 0.08393457 0.50000000 1.0 Ru Ru13 1 0.87934512 0.79540955 0.50000000 1.0 Ru Ru14 1 0.72665049 0.88900200 0.00000000 1.0 Ru Ru15 1 0.11099800 0.83764648 0.00000000 1.0 Ru Ru16 1 0.16235352 0.27334951 0.00000000 1.0 Ru Ru17 1 0.42415655 0.07520207 0.00000000 1.0 Ru Ru18 1 0.92479793 0.34895548 0.00000000 1.0 Ru Ru19 1 0.65104452 0.57584345 0.00000000 1.0 Ru Ru20 1 0.04023859 0.59860949 0.50000000 1.0