# generated using pymatgen data_Hf3Sc5(Ni4P3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.11475412 _cell_length_b 12.11475328 _cell_length_c 3.68016728 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999963 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Sc5(Ni4P3)4 _chemical_formula_sum 'Hf3 Sc5 Ni16 P12' _cell_volume 467.76462063 _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 Hf Hf0 1 0.55848618 0.55848618 0.00000000 1.0 Hf Hf1 1 0.44151382 0.00000000 0.00000000 1.0 Hf Hf2 1 1.00000000 0.44151382 0.00000000 1.0 Sc Sc3 1 0.18069111 0.18069111 0.50000000 1.0 Sc Sc4 1 0.81930889 1.00000000 0.50000000 1.0 Sc Sc5 1 0.00000000 0.81930889 0.50000000 1.0 Sc Sc6 1 0.33333300 0.66666700 0.00000000 1.0 Sc Sc7 1 0.66666700 0.33333300 0.00000000 1.0 Ni Ni8 1 0.72621579 0.72621579 0.50000000 1.0 Ni Ni9 1 0.27378421 1.00000000 0.50000000 1.0 Ni Ni10 1 0.00000000 0.27378421 0.50000000 1.0 Ni Ni11 1 0.18245416 0.37354471 0.00000000 1.0 Ni Ni12 1 0.62645529 0.80891045 0.00000000 1.0 Ni Ni13 1 0.19108955 0.81754584 0.00000000 1.0 Ni Ni14 1 0.80891045 0.62645529 0.00000000 1.0 Ni Ni15 1 0.81754584 0.19108955 0.00000000 1.0 Ni Ni16 1 0.37354471 0.18245416 0.00000000 1.0 Ni Ni17 1 0.35855961 0.48490604 0.50000000 1.0 Ni Ni18 1 0.51509396 0.87365557 0.50000000 1.0 Ni Ni19 1 0.12634443 0.64144039 0.50000000 1.0 Ni Ni20 1 0.87365557 0.51509396 0.50000000 1.0 Ni Ni21 1 0.64144039 0.12634443 0.50000000 1.0 Ni Ni22 1 0.48490604 0.35855961 0.50000000 1.0 Ni Ni23 1 0.00000000 0.00000000 0.00000000 1.0 P P24 1 0.82478922 0.82478922 0.00000000 1.0 P P25 1 0.17521078 1.00000000 0.00000000 1.0 P P26 1 0.00000000 0.17521078 0.00000000 1.0 P P27 1 0.17223477 0.48050827 0.50000000 1.0 P P28 1 0.51949173 0.69172749 0.50000000 1.0 P P29 1 0.30827251 0.82776523 0.50000000 1.0 P P30 1 0.69172749 0.51949173 0.50000000 1.0 P P31 1 0.82776523 0.30827251 0.50000000 1.0 P P32 1 0.48050827 0.17223477 0.50000000 1.0 P P33 1 0.35042810 0.35042810 0.00000000 1.0 P P34 1 0.64957190 0.00000000 0.00000000 1.0 P P35 1 1.00000000 0.64957190 0.00000000 1.0