# generated using pymatgen data_Li2Hf3Ni19P12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.81972232 _cell_length_b 11.81972303 _cell_length_c 3.56460952 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000350 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Hf3Ni19P12 _chemical_formula_sum 'Li2 Hf3 Ni19 P12' _cell_volume 431.27784935 _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 0.66666700 0.33333300 0.00000000 1.0 Li Li1 1 0.33333300 0.66666700 0.00000000 1.0 Hf Hf2 1 1.00000000 0.81749004 0.50000000 1.0 Hf Hf3 1 0.18250996 0.18250996 0.50000000 1.0 Hf Hf4 1 0.81749004 1.00000000 0.50000000 1.0 Ni Ni5 1 0.00000000 0.28555377 0.50000000 1.0 Ni Ni6 1 0.37643824 0.17891704 0.00000000 1.0 Ni Ni7 1 0.80247880 0.62356176 0.00000000 1.0 Ni Ni8 1 0.82108296 0.19752120 0.00000000 1.0 Ni Ni9 1 0.17891704 0.37643824 0.00000000 1.0 Ni Ni10 1 0.19752120 0.82108296 0.00000000 1.0 Ni Ni11 1 0.87290227 0.51907074 0.50000000 1.0 Ni Ni12 1 0.64616947 0.12709773 0.50000000 1.0 Ni Ni13 1 0.48092926 0.35383053 0.50000000 1.0 Ni Ni14 1 0.35383053 0.48092926 0.50000000 1.0 Ni Ni15 1 0.12709773 0.64616947 0.50000000 1.0 Ni Ni16 1 0.51907074 0.87290227 0.50000000 1.0 Ni Ni17 1 0.28555377 0.00000000 0.50000000 1.0 Ni Ni18 1 0.00000000 0.45277607 0.00000000 1.0 Ni Ni19 1 0.54722393 0.54722393 0.00000000 1.0 Ni Ni20 1 0.45277607 0.00000000 0.00000000 1.0 Ni Ni21 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni22 1 0.62356176 0.80247880 0.00000000 1.0 Ni Ni23 1 0.71444623 0.71444623 0.50000000 1.0 P P24 1 0.68074748 0.51189832 0.50000000 1.0 P P25 1 0.48810168 0.16884917 0.50000000 1.0 P P26 1 0.83115083 0.31925252 0.50000000 1.0 P P27 1 0.31925252 0.83115083 0.50000000 1.0 P P28 1 0.16884917 0.48810168 0.50000000 1.0 P P29 1 0.82362221 0.82362221 0.00000000 1.0 P P30 1 0.17637779 0.00000000 0.00000000 1.0 P P31 1 1.00000000 0.64190418 0.00000000 1.0 P P32 1 0.35809582 0.35809582 0.00000000 1.0 P P33 1 0.64190418 1.00000000 0.00000000 1.0 P P34 1 0.51189832 0.68074748 0.50000000 1.0 P P35 1 0.00000000 0.17637779 0.00000000 1.0