# generated using pymatgen data_Li3Hf(Ni4P3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.83119614 _cell_length_b 11.83119493 _cell_length_c 3.62764542 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.13923501 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Hf(Ni4P3)2 _chemical_formula_sum 'Li6 Hf2 Ni16 P12' _cell_volume 439.13867759 _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 0.82346339 0.82346339 0.50000000 1.0 Li Li1 1 0.44103625 0.44103625 0.00000000 1.0 Li Li2 1 0.55649544 0.00014093 0.00000000 1.0 Li Li3 1 0.33108431 0.66636630 0.00000000 1.0 Li Li4 1 0.66636630 0.33108431 0.00000000 1.0 Li Li5 1 0.00014093 0.55649544 0.00000000 1.0 Hf Hf6 1 0.00050547 0.18575449 0.50000000 1.0 Hf Hf7 1 0.18575449 0.00050547 0.50000000 1.0 Ni Ni8 1 0.62192401 0.81984441 0.00000000 1.0 Ni Ni9 1 0.37893162 0.19839619 0.00000000 1.0 Ni Ni10 1 0.99763001 0.71731054 0.50000000 1.0 Ni Ni11 1 0.28208193 0.28208193 0.50000000 1.0 Ni Ni12 1 0.87575466 0.35616871 0.50000000 1.0 Ni Ni13 1 0.71731054 0.99763001 0.50000000 1.0 Ni Ni14 1 0.81984441 0.62192401 0.00000000 1.0 Ni Ni15 1 0.17667811 0.80200126 0.00000000 1.0 Ni Ni16 1 0.35616871 0.87575466 0.50000000 1.0 Ni Ni17 1 0.12348395 0.48136950 0.50000000 1.0 Ni Ni18 1 0.64410588 0.52089393 0.50000000 1.0 Ni Ni19 1 0.00155273 0.00155273 0.00000000 1.0 Ni Ni20 1 0.52089393 0.64410588 0.50000000 1.0 Ni Ni21 1 0.48136950 0.12348395 0.50000000 1.0 Ni Ni22 1 0.19839619 0.37893162 0.00000000 1.0 Ni Ni23 1 0.80200126 0.17667811 0.00000000 1.0 P P24 1 0.99955666 0.35572117 0.00000000 1.0 P P25 1 0.82577733 0.51212694 0.50000000 1.0 P P26 1 0.68730638 0.17260609 0.50000000 1.0 P P27 1 0.17863691 0.17863691 0.00000000 1.0 P P28 1 0.64275696 0.64275696 0.00000000 1.0 P P29 1 0.82408544 0.99880369 0.00000000 1.0 P P30 1 0.51212694 0.82577733 0.50000000 1.0 P P31 1 0.17260609 0.68730638 0.50000000 1.0 P P32 1 0.35572117 0.99955666 0.00000000 1.0 P P33 1 0.48678242 0.31286499 0.50000000 1.0 P P34 1 0.99880369 0.82408544 0.00000000 1.0 P P35 1 0.31286499 0.48678242 0.50000000 1.0