# generated using pymatgen data_Li2Ni6P7Ru6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.13963441 _cell_length_b 9.13963421 _cell_length_c 3.63258884 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001036 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Ni6P7Ru6 _chemical_formula_sum 'Li2 Ni6 P7 Ru6' _cell_volume 262.78735821 _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 Li Li0 1 0.00000000 0.00000000 0.00000000 1.0 Li Li1 1 0.33333300 0.66666700 0.50000000 1.0 Ni Ni2 1 0.10188701 0.40349580 0.00000000 1.0 Ni Ni3 1 0.30160879 0.89811299 0.00000000 1.0 Ni Ni4 1 0.59650420 0.69839121 0.00000000 1.0 Ni Ni5 1 0.82737496 0.61481624 0.00000000 1.0 Ni Ni6 1 0.78744229 0.17262504 0.00000000 1.0 Ni Ni7 1 0.38518376 0.21255771 0.00000000 1.0 P P8 1 0.66666700 0.33333300 0.00000000 1.0 P P9 1 0.08127406 0.62918227 0.00000000 1.0 P P10 1 0.54790821 0.91872594 0.00000000 1.0 P P11 1 0.37081773 0.45209179 0.00000000 1.0 P P12 1 0.79244814 0.74371025 0.50000000 1.0 P P13 1 0.95126211 0.20755186 0.50000000 1.0 P P14 1 0.25628975 0.04873789 0.50000000 1.0 Ru Ru15 1 0.05995725 0.77240655 0.50000000 1.0 Ru Ru16 1 0.71245030 0.94004275 0.50000000 1.0 Ru Ru17 1 0.22759345 0.28754970 0.50000000 1.0 Ru Ru18 1 0.87867560 0.41759365 0.50000000 1.0 Ru Ru19 1 0.53891905 0.12132440 0.50000000 1.0 Ru Ru20 1 0.58240635 0.46108095 0.50000000 1.0