# generated using pymatgen data_Ta16Nb8SiP7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.18797358 _cell_length_b 10.26092048 _cell_length_c 5.05086691 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.17350507 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta16Nb8SiP7 _chemical_formula_sum 'Ta16 Nb8 Si1 P7' _cell_volume 528.00503716 _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 0.90814385 0.59065140 0.49919619 1.0 Ta Ta1 1 0.90666955 0.40662056 0.00008789 1.0 Ta Ta2 1 0.59201679 0.09225458 0.50089253 1.0 Ta Ta3 1 0.79925046 0.30006111 0.50044738 1.0 Ta Ta4 1 0.09333045 0.40662056 0.49991211 1.0 Ta Ta5 1 0.09185615 0.59065140 0.00080381 1.0 Ta Ta6 1 0.20074954 0.30006111 0.99955262 1.0 Ta Ta7 1 0.29682512 0.80029192 0.99543152 1.0 Ta Ta8 1 0.30078793 0.20017342 0.49843096 1.0 Ta Ta9 1 0.69921207 0.20017342 0.00156904 1.0 Ta Ta10 1 0.59226922 0.90681922 0.00128047 1.0 Ta Ta11 1 0.70317488 0.80029192 0.50456848 1.0 Ta Ta12 1 0.20101127 0.69854865 0.49799119 1.0 Ta Ta13 1 0.40798321 0.09225458 0.99910747 1.0 Ta Ta14 1 0.40773078 0.90681922 0.49871953 1.0 Ta Ta15 1 0.79898873 0.69854865 0.00200881 1.0 Nb Nb16 1 0.50000000 0.64537784 0.25000000 1.0 Nb Nb17 1 0.85292144 0.00367396 0.75081852 1.0 Nb Nb18 1 0.64551228 0.49943514 0.74957511 1.0 Nb Nb19 1 0.00000000 0.85535028 0.25000000 1.0 Nb Nb20 1 0.35448772 0.49943514 0.75042489 1.0 Nb Nb21 1 0.00000000 0.14699281 0.25000000 1.0 Nb Nb22 1 0.50000000 0.35336021 0.25000000 1.0 Nb Nb23 1 0.14707856 0.00367396 0.74918148 1.0 Si Si24 1 0.00000000 0.79429896 0.75000000 1.0 P P25 1 0.50000000 0.29138507 0.75000000 1.0 P P26 1 0.20841477 0.00033447 0.24953273 1.0 P P27 1 0.79158523 0.00033447 0.25046727 1.0 P P28 1 0.00000000 0.20914766 0.75000000 1.0 P P29 1 0.70786294 0.49896889 0.24994792 1.0 P P30 1 0.29213706 0.49896889 0.25005208 1.0 P P31 1 0.50000000 0.70842252 0.75000000 1.0