# generated using pymatgen data_Ta5P3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41756700 _cell_length_b 11.55280500 _cell_length_c 25.52944600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta5P3 _chemical_formula_sum 'Ta40 P24' _cell_volume 1007.96597196 _cell_formula_units_Z 8 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 Ta Ta0 1 0.25000000 0.87854300 0.72456400 1.0 Ta Ta1 1 0.75000000 0.44363900 0.65259500 1.0 Ta Ta2 1 0.75000000 0.05636100 0.15259500 1.0 Ta Ta3 1 0.25000000 0.94363900 0.84740500 1.0 Ta Ta4 1 0.25000000 0.69109200 0.45506900 1.0 Ta Ta5 1 0.75000000 0.30890800 0.54493100 1.0 Ta Ta6 1 0.75000000 0.19109200 0.04493100 1.0 Ta Ta7 1 0.25000000 0.80890800 0.95506900 1.0 Ta Ta8 1 0.25000000 0.55636100 0.34740500 1.0 Ta Ta9 1 0.75000000 0.58427400 0.53692400 1.0 Ta Ta10 1 0.75000000 0.91572600 0.03692400 1.0 Ta Ta11 1 0.25000000 0.08427400 0.96307600 1.0 Ta Ta12 1 0.25000000 0.10811700 0.49994100 1.0 Ta Ta13 1 0.75000000 0.89188300 0.50005900 1.0 Ta Ta14 1 0.75000000 0.60811700 0.00005900 1.0 Ta Ta15 1 0.25000000 0.39188300 0.99994100 1.0 Ta Ta16 1 0.25000000 0.54369200 0.82326100 1.0 Ta Ta17 1 0.75000000 0.45630800 0.17673900 1.0 Ta Ta18 1 0.75000000 0.04369200 0.67673900 1.0 Ta Ta19 1 0.25000000 0.95630800 0.32326100 1.0 Ta Ta20 1 0.25000000 0.15559600 0.76073200 1.0 Ta Ta21 1 0.75000000 0.84440400 0.23926800 1.0 Ta Ta22 1 0.75000000 0.65559600 0.73926800 1.0 Ta Ta23 1 0.25000000 0.34440400 0.26073200 1.0 Ta Ta24 1 0.25000000 0.41572600 0.46307600 1.0 Ta Ta25 1 0.75000000 0.12145700 0.27543600 1.0 Ta Ta26 1 0.75000000 0.37854300 0.77543600 1.0 Ta Ta27 1 0.25000000 0.62145700 0.22456400 1.0 Ta Ta28 1 0.25000000 0.65842000 0.63808800 1.0 Ta Ta29 1 0.75000000 0.34158000 0.36191200 1.0 Ta Ta30 1 0.75000000 0.15842000 0.86191200 1.0 Ta Ta31 1 0.25000000 0.84158000 0.13808800 1.0 Ta Ta32 1 0.25000000 0.21578800 0.62458200 1.0 Ta Ta33 1 0.75000000 0.78421200 0.37541800 1.0 Ta Ta34 1 0.75000000 0.71578800 0.87541800 1.0 Ta Ta35 1 0.25000000 0.28421200 0.12458200 1.0 Ta Ta36 1 0.25000000 0.93528000 0.59940300 1.0 Ta Ta37 1 0.75000000 0.06472000 0.40059700 1.0 Ta Ta38 1 0.75000000 0.43528000 0.90059700 1.0 Ta Ta39 1 0.25000000 0.56472000 0.09940300 1.0 P P40 1 0.25000000 0.58637300 0.92667000 1.0 P P41 1 0.75000000 0.41362700 0.07333000 1.0 P P42 1 0.75000000 0.08637300 0.57333000 1.0 P P43 1 0.25000000 0.91362700 0.42667000 1.0 P P44 1 0.25000000 0.31602500 0.84389200 1.0 P P45 1 0.75000000 0.68397500 0.15610800 1.0 P P46 1 0.75000000 0.81602500 0.65610800 1.0 P P47 1 0.25000000 0.18397500 0.34389200 1.0 P P48 1 0.25000000 0.75519800 0.80207700 1.0 P P49 1 0.75000000 0.24480200 0.19792300 1.0 P P50 1 0.75000000 0.25519800 0.69792300 1.0 P P51 1 0.25000000 0.74480200 0.30207700 1.0 P P52 1 0.25000000 0.49785000 0.72106600 1.0 P P53 1 0.75000000 0.50215000 0.27893400 1.0 P P54 1 0.75000000 0.99785000 0.77893400 1.0 P P55 1 0.25000000 0.00215000 0.22106600 1.0 P P56 1 0.25000000 0.44973900 0.57789800 1.0 P P57 1 0.75000000 0.55026100 0.42210200 1.0 P P58 1 0.75000000 0.94973900 0.92210200 1.0 P P59 1 0.25000000 0.05026100 0.07789800 1.0 P P60 1 0.25000000 0.75105000 0.54919300 1.0 P P61 1 0.75000000 0.24895000 0.45080700 1.0 P P62 1 0.75000000 0.25105000 0.95080700 1.0 P P63 1 0.25000000 0.74895000 0.04919300 1.0