# generated using pymatgen data_HfTi2(NbP)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.69812281 _cell_length_b 7.69812245 _cell_length_c 13.88050099 _cell_angle_alpha 75.84914999 _cell_angle_beta 75.84915077 _cell_angle_gamma 26.02599784 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTi2(NbP)4 _chemical_formula_sum 'Hf2 Ti4 Nb8 P8' _cell_volume 349.38115570 _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 Hf Hf0 1 0.82426478 0.82426478 0.54251430 1.0 Hf Hf1 1 0.17573522 0.17573522 0.45748570 1.0 Ti Ti2 1 0.66218852 0.66218852 0.03171445 1.0 Ti Ti3 1 0.33781148 0.33781148 0.96828555 1.0 Ti Ti4 1 0.99557526 0.99557526 0.66693769 1.0 Ti Ti5 1 0.00442474 0.00442474 0.33306231 1.0 Nb Nb6 1 0.20843618 0.20843618 0.19970338 1.0 Nb Nb7 1 0.79156382 0.79156382 0.80029662 1.0 Nb Nb8 1 0.19621203 0.19621203 0.69280549 1.0 Nb Nb9 1 0.80378797 0.80378797 0.30719451 1.0 Nb Nb10 1 0.42821386 0.42821386 0.16968249 1.0 Nb Nb11 1 0.57178614 0.57178614 0.83031751 1.0 Nb Nb12 1 0.50000000 0.50000000 0.50000000 1.0 Nb Nb13 1 0.00000000 0.00000000 0.00000000 1.0 P P14 1 0.06142119 0.06142119 0.15134281 1.0 P P15 1 0.93857881 0.93857881 0.84865719 1.0 P P16 1 0.37289101 0.37289101 0.66561056 1.0 P P17 1 0.62710899 0.62710899 0.33438944 1.0 P P18 1 0.37881066 0.37881066 0.39277931 1.0 P P19 1 0.62118934 0.62118934 0.60722069 1.0 P P20 1 0.17789511 0.17789511 0.89623378 1.0 P P21 1 0.82210489 0.82210489 0.10376622 1.0