# generated using pymatgen data_Ta19Ti5P8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.11177905 _cell_length_b 10.12588927 _cell_length_c 5.02363075 _cell_angle_alpha 90.01620059 _cell_angle_beta 90.01663686 _cell_angle_gamma 89.99449098 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta19Ti5P8 _chemical_formula_sum 'Ta19 Ti5 P8' _cell_volume 514.37329992 _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 0.90643159 0.59356257 0.49994533 1.0 Ta Ta1 1 0.90521609 0.40833280 0.99797782 1.0 Ta Ta2 1 0.59442654 0.09230840 0.50227675 1.0 Ta Ta3 1 0.79810952 0.30268763 0.49899573 1.0 Ta Ta4 1 0.09420168 0.40807326 0.50188250 1.0 Ta Ta5 1 0.09305106 0.59373867 0.99975162 1.0 Ta Ta6 1 0.20045237 0.30233986 0.99936692 1.0 Ta Ta7 1 0.30173906 0.79803193 0.00057184 1.0 Ta Ta8 1 0.29989601 0.19906838 0.49908412 1.0 Ta Ta9 1 0.70132592 0.19743748 0.99991314 1.0 Ta Ta10 1 0.59330620 0.90574601 0.99921733 1.0 Ta Ta11 1 0.69962128 0.79960677 0.50067283 1.0 Ta Ta12 1 0.00039919 0.14592410 0.25047278 1.0 Ta Ta13 1 0.19831273 0.70045433 0.50147404 1.0 Ta Ta14 1 0.40670490 0.09324440 0.99963085 1.0 Ta Ta15 1 0.50035454 0.35417636 0.24874068 1.0 Ta Ta16 1 0.40808058 0.90477013 0.49855481 1.0 Ta Ta17 1 0.80008861 0.70016793 0.00029133 1.0 Ta Ta18 1 0.14527476 0.00012385 0.75207610 1.0 Ti Ti19 1 0.50019763 0.64647513 0.25126992 1.0 Ti Ti20 1 0.85422310 0.00050967 0.74842578 1.0 Ti Ti21 1 0.64449960 0.49945677 0.75141056 1.0 Ti Ti22 1 0.00083304 0.85377926 0.24995105 1.0 Ti Ti23 1 0.35524871 0.49977290 0.74851935 1.0 P P24 1 0.99733132 0.79558783 0.74930479 1.0 P P25 1 0.50066734 0.29560229 0.74953576 1.0 P P26 1 0.20600326 0.99654507 0.25116324 1.0 P P27 1 0.79574745 0.99646582 0.24865665 1.0 P P28 1 0.99750382 0.20635966 0.75042820 1.0 P P29 1 0.70363635 0.50360779 0.25131658 1.0 P P30 1 0.29618291 0.50352317 0.24858344 1.0 P P31 1 0.50093183 0.70252079 0.75053817 1.0