# generated using pymatgen data_Ta8Nb4As3P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.34718980 _cell_length_b 10.34718980 _cell_length_c 5.11526629 _cell_angle_alpha 90.14751503 _cell_angle_beta 89.85248497 _cell_angle_gamma 90.01669290 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta8Nb4As3P _chemical_formula_sum 'Ta16 Nb8 As6 P2' _cell_volume 547.65894041 _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 0.90880179 0.59068351 0.50038460 1.0 Ta Ta1 1 0.90915021 0.40933070 0.00043356 1.0 Ta Ta2 1 0.59066930 0.09084979 0.50043356 1.0 Ta Ta3 1 0.79795101 0.29945007 0.50122062 1.0 Ta Ta4 1 0.09495096 0.41165232 0.49557446 1.0 Ta Ta5 1 0.09483536 0.58866289 0.00368793 1.0 Ta Ta6 1 0.20422560 0.30343969 0.00335080 1.0 Ta Ta7 1 0.30170635 0.79689590 0.99344591 1.0 Ta Ta8 1 0.29797196 0.20105063 0.50303647 1.0 Ta Ta9 1 0.70054993 0.20204899 0.00122062 1.0 Ta Ta10 1 0.58834768 0.90504904 0.99557446 1.0 Ta Ta11 1 0.69656031 0.79577440 0.50335080 1.0 Ta Ta12 1 0.20310410 0.69829365 0.49344591 1.0 Ta Ta13 1 0.40931649 0.09119821 0.00038460 1.0 Ta Ta14 1 0.41133711 0.90516464 0.50368793 1.0 Ta Ta15 1 0.79894937 0.70202804 0.00303647 1.0 Nb Nb16 1 0.49483481 0.64833924 0.24985054 1.0 Nb Nb17 1 0.85130709 0.99949642 0.74854699 1.0 Nb Nb18 1 0.64557441 0.50591616 0.74980957 1.0 Nb Nb19 1 0.00043305 0.85002082 0.25157338 1.0 Nb Nb20 1 0.35166076 0.50516519 0.74985054 1.0 Nb Nb21 1 0.00050358 0.14869291 0.24854699 1.0 Nb Nb22 1 0.49408384 0.35442559 0.24980957 1.0 Nb Nb23 1 0.14997918 0.99956695 0.75157338 1.0 As As24 1 0.00282743 0.79119055 0.75194211 1.0 As As25 1 0.49982496 0.29479565 0.74988032 1.0 As As26 1 0.20880945 0.99717257 0.25194211 1.0 As As27 1 0.79155907 0.99697664 0.24795555 1.0 As As28 1 0.00302336 0.20844093 0.74795555 1.0 As As29 1 0.70520435 0.50017504 0.24988032 1.0 P P30 1 0.29310008 0.50115397 0.24930718 1.0 P P31 1 0.49884603 0.70689992 0.74930718 1.0