# generated using pymatgen data_Li3Sc2Ni9P7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.99958661 _cell_length_b 8.99958582 _cell_length_c 3.62100496 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000289 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Sc2Ni9P7 _chemical_formula_sum 'Li3 Sc2 Ni9 P7' _cell_volume 253.98310177 _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 0.21441121 0.11114352 0.50000000 1.0 Li Li1 1 0.88885648 0.10326769 0.50000000 1.0 Li Li2 1 0.89673231 0.78558879 0.50000000 1.0 Sc Sc3 1 0.33333300 0.66666700 0.00000000 1.0 Sc Sc4 1 0.66666700 0.33333300 0.50000000 1.0 Ni Ni5 1 0.12114271 0.28543343 0.00000000 1.0 Ni Ni6 1 0.71456657 0.83570928 0.00000000 1.0 Ni Ni7 1 0.16429072 0.87885729 0.00000000 1.0 Ni Ni8 1 0.42952941 0.36842954 0.00000000 1.0 Ni Ni9 1 0.63157046 0.06110087 0.00000000 1.0 Ni Ni10 1 0.93889913 0.57047059 0.00000000 1.0 Ni Ni11 1 0.04746640 0.44151772 0.50000000 1.0 Ni Ni12 1 0.55848228 0.60594868 0.50000000 1.0 Ni Ni13 1 0.39405132 0.95253360 0.50000000 1.0 P P14 1 0.28530312 0.41215696 0.50000000 1.0 P P15 1 0.58784304 0.87314516 0.50000000 1.0 P P16 1 0.12685484 0.71469688 0.50000000 1.0 P P17 1 0.41828925 0.11593911 0.00000000 1.0 P P18 1 0.88406089 0.30235113 0.00000000 1.0 P P19 1 0.69764887 0.58171075 0.00000000 1.0 P P20 1 0.00000000 0.00000000 0.00000000 1.0