# generated using pymatgen data_Ta2Ti5P4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.55140272 _cell_length_b 7.55140260 _cell_length_c 13.63887039 _cell_angle_alpha 75.88208791 _cell_angle_beta 75.88208810 _cell_angle_gamma 26.00294972 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2Ti5P4 _chemical_formula_sum 'Ta4 Ti10 P8' _cell_volume 330.11722457 _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 Ta Ta0 1 0.00000000 0.00000000 0.00000000 1.0 Ta Ta1 1 0.50000000 0.50000000 0.50000000 1.0 Ta Ta2 1 0.42759091 0.42759091 0.17101645 1.0 Ta Ta3 1 0.57240909 0.57240909 0.82898355 1.0 Ti Ti4 1 0.19750268 0.19750268 0.69097498 1.0 Ti Ti5 1 0.80249732 0.80249732 0.30902502 1.0 Ti Ti6 1 0.20723437 0.20723437 0.20609313 1.0 Ti Ti7 1 0.79276563 0.79276563 0.79390687 1.0 Ti Ti8 1 0.33974811 0.33974811 0.96867001 1.0 Ti Ti9 1 0.66025189 0.66025189 0.03132999 1.0 Ti Ti10 1 0.00330026 0.00330026 0.33701402 1.0 Ti Ti11 1 0.99669974 0.99669974 0.66298598 1.0 Ti Ti12 1 0.17757533 0.17757533 0.45900559 1.0 Ti Ti13 1 0.82242467 0.82242467 0.54099441 1.0 P P14 1 0.18155647 0.18155647 0.89034750 1.0 P P15 1 0.81844353 0.81844353 0.10965250 1.0 P P16 1 0.37260993 0.37260993 0.39486210 1.0 P P17 1 0.62739007 0.62739007 0.60513790 1.0 P P18 1 0.36866379 0.36866379 0.65973240 1.0 P P19 1 0.63133621 0.63133621 0.34026760 1.0 P P20 1 0.06380365 0.06380365 0.15374231 1.0 P P21 1 0.93619635 0.93619635 0.84625769 1.0