# generated using pymatgen data_HoHf(NiP)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.71574186 _cell_length_b 10.08320277 _cell_length_c 12.18840445 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HoHf(NiP)3 _chemical_formula_sum 'Ho4 Hf4 Ni12 P12' _cell_volume 456.65781351 _cell_formula_units_Z 4 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 Ho Ho0 1 0.25000000 0.07042135 0.20781777 1.0 Ho Ho1 1 0.75000000 0.92957865 0.79218223 1.0 Ho Ho2 1 0.75000000 0.57042135 0.29218223 1.0 Ho Ho3 1 0.25000000 0.42957865 0.70781777 1.0 Hf Hf4 1 0.25000000 0.16048473 0.49794091 1.0 Hf Hf5 1 0.75000000 0.83951527 0.50205909 1.0 Hf Hf6 1 0.75000000 0.66048473 0.00205909 1.0 Hf Hf7 1 0.25000000 0.33951527 0.99794091 1.0 Ni Ni8 1 0.25000000 0.72722332 0.66438665 1.0 Ni Ni9 1 0.75000000 0.27277668 0.33561335 1.0 Ni Ni10 1 0.75000000 0.22722332 0.83561335 1.0 Ni Ni11 1 0.25000000 0.77277668 0.16438665 1.0 Ni Ni12 1 0.25000000 0.36588482 0.21824538 1.0 Ni Ni13 1 0.75000000 0.63411518 0.78175462 1.0 Ni Ni14 1 0.75000000 0.86588482 0.28175462 1.0 Ni Ni15 1 0.25000000 0.13411518 0.71824538 1.0 Ni Ni16 1 0.25000000 0.59743602 0.48329409 1.0 Ni Ni17 1 0.75000000 0.40256398 0.51670591 1.0 Ni Ni18 1 0.75000000 0.09743602 0.01670591 1.0 Ni Ni19 1 0.25000000 0.90256398 0.98329409 1.0 P P20 1 0.25000000 0.94400403 0.62181733 1.0 P P21 1 0.75000000 0.05599597 0.37818267 1.0 P P22 1 0.75000000 0.44400403 0.87818267 1.0 P P23 1 0.25000000 0.55599597 0.12181733 1.0 P P24 1 0.25000000 0.39372504 0.40202268 1.0 P P25 1 0.75000000 0.60627496 0.59797732 1.0 P P26 1 0.75000000 0.89372504 0.09797732 1.0 P P27 1 0.25000000 0.10627496 0.90202268 1.0 P P28 1 0.25000000 0.76987930 0.35471961 1.0 P P29 1 0.75000000 0.23012070 0.64528039 1.0 P P30 1 0.75000000 0.26987930 0.14528039 1.0 P P31 1 0.25000000 0.73012070 0.85471961 1.0