# generated using pymatgen data_Li4Ni9P7Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.97711255 _cell_length_b 8.95580875 _cell_length_c 3.57629961 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.76182420 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4Ni9P7Ru _chemical_formula_sum 'Li4 Ni9 P7 Ru1' _cell_volume 249.59927935 _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 0.89498523 0.11996684 0.50000000 1.0 Li Li1 1 0.22310992 0.10179708 0.50000000 1.0 Li Li2 1 0.33128295 0.66100618 0.00000000 1.0 Li Li3 1 0.66329003 0.33089193 0.50000000 1.0 Ni Ni4 1 0.71239869 0.88309740 0.00000000 1.0 Ni Ni5 1 0.16099010 0.27717309 0.00000000 1.0 Ni Ni6 1 0.12486982 0.83564366 0.00000000 1.0 Ni Ni7 1 0.62940379 0.56862744 0.00000000 1.0 Ni Ni8 1 0.94168590 0.37300978 0.00000000 1.0 Ni Ni9 1 0.42969800 0.05721423 0.00000000 1.0 Ni Ni10 1 0.56471951 0.95381084 0.50000000 1.0 Ni Ni11 1 0.38960417 0.43708230 0.50000000 1.0 Ni Ni12 1 0.05293876 0.61155158 0.50000000 1.0 P P13 1 0.58734301 0.71081648 0.50000000 1.0 P P14 1 0.12687808 0.41415384 0.50000000 1.0 P P15 1 0.29067533 0.87107119 0.50000000 1.0 P P16 1 0.99503733 0.99038816 0.00000000 1.0 P P17 1 0.87990178 0.58173411 0.00000000 1.0 P P18 1 0.69820158 0.12603116 0.00000000 1.0 P P19 1 0.42304301 0.30150927 0.00000000 1.0 Ru Ru20 1 0.87994505 0.79342445 0.50000000 1.0