# generated using pymatgen data_TaNb23(SiAs3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.50973891 _cell_length_b 11.97791688 _cell_length_c 14.79744783 _cell_angle_alpha 90.01248455 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNb23(SiAs3)3 _chemical_formula_sum 'Ta1 Nb23 Si3 As9' _cell_volume 622.07523549 _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 0.50000000 0.02823028 0.39145217 1.0 Nb Nb1 1 0.00000000 0.18668251 0.29761306 1.0 Nb Nb2 1 0.00000000 0.52553661 0.11006504 1.0 Nb Nb3 1 0.50000000 0.91029322 0.07851649 1.0 Nb Nb4 1 0.00000000 0.88703014 0.92651794 1.0 Nb Nb5 1 0.00000000 0.85334319 0.47975928 1.0 Nb Nb6 1 0.50000000 0.68657205 0.20516272 1.0 Nb Nb7 1 0.50000000 0.38684470 0.57396239 1.0 Nb Nb8 1 0.00000000 0.59045396 0.57774267 1.0 Nb Nb9 1 0.50000000 0.61449577 0.42818484 1.0 Nb Nb10 1 0.00000000 0.08715016 0.75695730 1.0 Nb Nb11 1 0.50000000 0.64243657 0.97593419 1.0 Nb Nb12 1 0.00000000 0.14580968 0.52047372 1.0 Nb Nb13 1 0.00000000 0.40797134 0.42360719 1.0 Nb Nb14 1 0.50000000 0.40970469 0.26197945 1.0 Nb Nb15 1 0.50000000 0.58893386 0.73798128 1.0 Nb Nb16 1 0.50000000 0.97230423 0.60897648 1.0 Nb Nb17 1 0.50000000 0.35677017 0.02326236 1.0 Nb Nb18 1 0.00000000 0.11212446 0.07326862 1.0 Nb Nb19 1 0.50000000 0.08932604 0.92177444 1.0 Nb Nb20 1 0.00000000 0.47366868 0.88809222 1.0 Nb Nb21 1 0.00000000 0.81315854 0.70274313 1.0 Nb Nb22 1 0.50000000 0.31608787 0.79328219 1.0 Nb Nb23 1 0.00000000 0.91379380 0.24417871 1.0 Si Si24 1 0.00000000 0.43118029 0.70262618 1.0 Si Si25 1 0.50000000 0.74672799 0.58467882 1.0 Si Si26 1 0.50000000 0.25226468 0.41614648 1.0 As As27 1 0.00000000 0.24839832 0.91427563 1.0 As As28 1 0.00000000 0.30888741 0.15182118 1.0 As As29 1 0.00000000 0.57086009 0.29790434 1.0 As As30 1 0.50000000 0.19121886 0.65011975 1.0 As As31 1 0.00000000 0.75133699 0.08317743 1.0 As As32 1 0.50000000 0.81014475 0.35035191 1.0 As As33 1 0.00000000 0.69016935 0.84725346 1.0 As As34 1 0.50000000 0.07223689 0.20429851 1.0 As As35 1 0.50000000 0.92785088 0.79585642 1.0