# generated using pymatgen data_K16Tl22Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.31750156 _cell_length_b 10.31750156 _cell_length_c 18.48997115 _cell_angle_alpha 90.00000054 _cell_angle_beta 106.20068704 _cell_angle_gamma 59.99999654 _symmetry_Int_Tables_number 1 _chemical_formula_structural K16Tl22Pd _chemical_formula_sum 'K16 Tl22 Pd1' _cell_volume 1613.69272284 _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 K K0 1 0.02644003 0.82430926 0.43304592 1.0 K K1 1 0.25735518 0.14925071 0.43304592 1.0 K K2 1 0.58229663 0.59339411 0.43304592 1.0 K K3 1 0.04065628 0.64587231 0.93835320 1.0 K K4 1 0.58422551 0.31347141 0.93835320 1.0 K K5 1 0.25182460 0.10230308 0.93835320 1.0 K K6 1 0.95934372 0.18652859 0.56164680 1.0 K K7 1 0.74817540 0.85412769 0.56164680 1.0 K K8 1 0.41577449 0.39769692 0.56164680 1.0 K K9 1 0.97355997 0.35074929 0.06695408 1.0 K K10 1 0.41770337 0.67569074 0.06695408 1.0 K K11 1 0.74264482 0.90660589 0.06695408 1.0 K K12 1 0.84482012 0.57758994 0.26723017 1.0 K K13 1 0.84509995 0.07745003 0.76764992 1.0 K K14 1 0.15490005 0.42254997 0.73235008 1.0 K K15 1 0.15517988 0.92241006 0.23276983 1.0 Tl Tl16 1 0.23262990 0.01737010 0.75000000 1.0 Tl Tl17 1 0.76737010 0.75000000 0.75000000 1.0 Tl Tl18 1 0.50000000 0.48262990 0.75000000 1.0 Tl Tl19 1 0.28200598 0.25000000 0.25000000 1.0 Tl Tl20 1 0.50000000 0.46799402 0.25000000 1.0 Tl Tl21 1 0.71799402 0.03200598 0.25000000 1.0 Tl Tl22 1 0.57311245 0.91733857 0.34420319 1.0 Tl Tl23 1 0.26154176 0.50954898 0.34420319 1.0 Tl Tl24 1 0.85375217 0.22890926 0.34420319 1.0 Tl Tl25 1 0.57019547 0.99601438 0.84398779 1.0 Tl Tl26 1 0.84000217 0.43379016 0.84398779 1.0 Tl Tl27 1 0.27777795 0.72620767 0.84398779 1.0 Tl Tl28 1 0.42980453 0.06620984 0.65601221 1.0 Tl Tl29 1 0.72222205 0.50398562 0.65601221 1.0 Tl Tl30 1 0.15999783 0.77379233 0.65601221 1.0 Tl Tl31 1 0.42688755 0.99045102 0.15579681 1.0 Tl Tl32 1 0.14624783 0.58266143 0.15579681 1.0 Tl Tl33 1 0.73845824 0.27109074 0.15579681 1.0 Tl Tl34 1 0.39077905 0.80461048 0.58616857 1.0 Tl Tl35 1 0.39686160 0.30156920 0.09529239 1.0 Tl Tl36 1 0.60313840 0.19843080 0.40470761 1.0 Tl Tl37 1 0.60922095 0.69538952 0.91383143 1.0 Pd Pd38 1 0.50000000 0.75000000 0.75000000 1.0