# generated using pymatgen data_LiZr3(Ni4P3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.97207611 _cell_length_b 11.97100834 _cell_length_c 3.66535802 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99705479 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiZr3(Ni4P3)2 _chemical_formula_sum 'Li2 Zr6 Ni16 P12' _cell_volume 454.94628599 _cell_formula_units_Z 2 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 0.43959818 0.43897080 0.00000000 1.0 Li Li1 1 0.56040182 0.99937162 0.00000000 1.0 Zr Zr2 1 0.81490755 0.81878156 0.50000000 1.0 Zr Zr3 1 1.00000000 0.17743959 0.50000000 1.0 Zr Zr4 1 0.33829369 0.66937393 0.00000000 1.0 Zr Zr5 1 0.66170631 0.33107825 0.00000000 1.0 Zr Zr6 1 1.00000000 0.55545945 0.00000000 1.0 Zr Zr7 1 0.18509245 0.00387401 0.50000000 1.0 Ni Ni8 1 0.62199189 0.81690727 0.00000000 1.0 Ni Ni9 1 0.37800811 0.19491438 0.00000000 1.0 Ni Ni10 1 0.00000000 0.72786581 0.50000000 1.0 Ni Ni11 1 0.28125913 0.28175119 0.50000000 1.0 Ni Ni12 1 0.87240898 0.35298919 0.50000000 1.0 Ni Ni13 1 0.71874087 0.00049206 0.50000000 1.0 Ni Ni14 1 0.81455566 0.62681805 0.00000000 1.0 Ni Ni15 1 0.18544434 0.81226239 0.00000000 1.0 Ni Ni16 1 0.36209836 0.87784675 0.50000000 1.0 Ni Ni17 1 0.12759102 0.48058021 0.50000000 1.0 Ni Ni18 1 0.63790164 0.51574939 0.50000000 1.0 Ni Ni19 1 1.00000000 0.00100258 0.00000000 1.0 Ni Ni20 1 0.52010855 0.64181061 0.50000000 1.0 Ni Ni21 1 0.47989145 0.12170106 0.50000000 1.0 Ni Ni22 1 0.19753143 0.37925219 0.00000000 1.0 Ni Ni23 1 0.80246857 0.18172076 0.00000000 1.0 P P24 1 0.00000000 0.34726016 0.00000000 1.0 P P25 1 0.82522916 0.51732059 0.50000000 1.0 P P26 1 0.68486263 0.16767487 0.50000000 1.0 P P27 1 0.17920708 0.17827781 0.00000000 1.0 P P28 1 0.63853012 0.64000228 0.00000000 1.0 P P29 1 0.82079292 0.99907073 0.00000000 1.0 P P30 1 0.52047122 0.83121517 0.50000000 1.0 P P31 1 0.17477084 0.69209043 0.50000000 1.0 P P32 1 0.36146988 0.00147216 0.00000000 1.0 P P33 1 0.47952878 0.31074395 0.50000000 1.0 P P34 1 0.00000000 0.82404253 0.00000000 1.0 P P35 1 0.31513737 0.48281124 0.50000000 1.0