# generated using pymatgen data_Ti24P8H _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97749125 _cell_length_b 9.95205909 _cell_length_c 9.96076035 _cell_angle_alpha 89.93355006 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti24P8H _chemical_formula_sum 'Ti24 P8 H1' _cell_volume 493.41875175 _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 Ti Ti0 1 0.78843567 0.39363872 0.91643797 1.0 Ti Ti1 1 0.78843567 0.60636128 0.08356203 1.0 Ti Ti2 1 0.28721906 0.58304941 0.89355544 1.0 Ti Ti3 1 0.28721906 0.41695059 0.10644456 1.0 Ti Ti4 1 0.22117957 0.10944310 0.58525310 1.0 Ti Ti5 1 0.22117957 0.89055690 0.41474690 1.0 Ti Ti6 1 0.71241474 0.91368108 0.60959898 1.0 Ti Ti7 1 0.71241474 0.08631892 0.39040102 1.0 Ti Ti8 1 0.97151739 0.02877208 0.86107017 1.0 Ti Ti9 1 0.97151739 0.97122792 0.13892983 1.0 Ti Ti10 1 0.47182440 0.64013273 0.52833088 1.0 Ti Ti11 1 0.47182440 0.35986727 0.47166912 1.0 Ti Ti12 1 0.03309100 0.47160008 0.63955621 1.0 Ti Ti13 1 0.03309100 0.52839992 0.36044379 1.0 Ti Ti14 1 0.53227699 0.86019389 0.97127616 1.0 Ti Ti15 1 0.53227699 0.13980611 0.02872384 1.0 Ti Ti16 1 0.26320372 0.28428118 0.81912419 1.0 Ti Ti17 1 0.26320372 0.71571882 0.18087581 1.0 Ti Ti18 1 0.76193887 0.68087916 0.78437004 1.0 Ti Ti19 1 0.76193887 0.31912084 0.21562996 1.0 Ti Ti20 1 0.74219587 0.21757136 0.68250875 1.0 Ti Ti21 1 0.74219587 0.78242864 0.31749125 1.0 Ti Ti22 1 0.23996749 0.81765264 0.71814181 1.0 Ti Ti23 1 0.23996749 0.18234736 0.28185819 1.0 P P24 1 0.46648956 0.04104162 0.79392779 1.0 P P25 1 0.46648956 0.95895838 0.20607221 1.0 P P26 1 0.96601584 0.70612775 0.54114664 1.0 P P27 1 0.96601584 0.29387225 0.45885336 1.0 P P28 1 0.53861320 0.45923046 0.70648134 1.0 P P29 1 0.53861320 0.54076954 0.29351866 1.0 P P30 1 0.03801820 0.79316455 0.95918372 1.0 P P31 1 0.03801820 0.20683545 0.04081628 1.0 H H32 1 0.96679488 0.00000000 0.50000000 1.0