# generated using pymatgen data_Ta6Ti5Nb3P8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.55590863 _cell_length_b 7.55590824 _cell_length_c 13.74926893 _cell_angle_alpha 76.22309441 _cell_angle_beta 76.22309471 _cell_angle_gamma 26.16447093 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta6Ti5Nb3P8 _chemical_formula_sum 'Ta6 Ti5 Nb3 P8' _cell_volume 335.62772223 _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 Ta Ta0 1 0.66274154 0.66274154 0.02875931 1.0 Ta Ta1 1 0.33702579 0.33702579 0.97125281 1.0 Ta Ta2 1 0.99932968 0.99932968 0.66483119 1.0 Ta Ta3 1 0.00118189 0.00118189 0.33510698 1.0 Ta Ta4 1 0.82424153 0.82424153 0.54275509 1.0 Ta Ta5 1 0.99969177 0.99969177 0.00017588 1.0 Ti Ti6 1 0.17722964 0.17722964 0.45757057 1.0 Ti Ti7 1 0.20858466 0.20858466 0.20249845 1.0 Ti Ti8 1 0.79066438 0.79066438 0.79744921 1.0 Ti Ti9 1 0.19736896 0.19736896 0.69061520 1.0 Ti Ti10 1 0.80211605 0.80211605 0.30966586 1.0 Nb Nb11 1 0.42850437 0.42850437 0.17286399 1.0 Nb Nb12 1 0.57085437 0.57085437 0.82767770 1.0 Nb Nb13 1 0.50054428 0.50054428 0.49974777 1.0 P P14 1 0.06600335 0.06600335 0.15168152 1.0 P P15 1 0.93361575 0.93361575 0.84831170 1.0 P P16 1 0.36885383 0.36885383 0.66566307 1.0 P P17 1 0.63167491 0.63167491 0.33605720 1.0 P P18 1 0.36789416 0.36789416 0.39667848 1.0 P P19 1 0.63244589 0.63244589 0.60018963 1.0 P P20 1 0.17945428 0.17945428 0.88634357 1.0 P P21 1 0.81997890 0.81997890 0.11410581 1.0