# generated using pymatgen data_Ag5Te2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.72041113 _cell_length_b 13.87301599 _cell_length_c 13.96810700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag5Te2Cl _chemical_formula_sum 'Ag40 Te16 Cl8' _cell_volume 1496.05950667 _cell_formula_units_Z 8 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 Ag Ag0 1 0.86714289 0.92766691 0.92321788 1.0 Ag Ag1 1 0.01149301 0.64048726 0.10972570 1.0 Ag Ag2 1 0.13285711 0.07233309 0.07678212 1.0 Ag Ag3 1 0.48850699 0.35951274 0.60972570 1.0 Ag Ag4 1 0.62542938 0.90021514 0.08178745 1.0 Ag Ag5 1 0.63285711 0.42766691 0.42321788 1.0 Ag Ag6 1 0.12542938 0.59978486 0.41821255 1.0 Ag Ag7 1 0.87457062 0.40021514 0.58178745 1.0 Ag Ag8 1 0.63285711 0.07233309 0.42321788 1.0 Ag Ag9 1 0.37457062 0.09978486 0.91821255 1.0 Ag Ag10 1 0.36714289 0.92766691 0.57678212 1.0 Ag Ag11 1 0.55676426 0.75000000 0.56985902 1.0 Ag Ag12 1 0.51149301 0.64048726 0.39027430 1.0 Ag Ag13 1 0.72727510 0.35402736 0.20397700 1.0 Ag Ag14 1 0.05676426 0.75000000 0.93014098 1.0 Ag Ag15 1 0.27272490 0.85402736 0.79602300 1.0 Ag Ag16 1 0.44323574 0.25000000 0.43014098 1.0 Ag Ag17 1 0.94323574 0.25000000 0.06985902 1.0 Ag Ag18 1 0.13890734 0.25000000 0.61927008 1.0 Ag Ag19 1 0.86714289 0.57233309 0.92321788 1.0 Ag Ag20 1 0.63890734 0.25000000 0.88072992 1.0 Ag Ag21 1 0.77272490 0.85402736 0.70397700 1.0 Ag Ag22 1 0.62542938 0.59978486 0.08178745 1.0 Ag Ag23 1 0.01149301 0.85951274 0.10972570 1.0 Ag Ag24 1 0.13285711 0.42766691 0.07678212 1.0 Ag Ag25 1 0.36109266 0.75000000 0.11927008 1.0 Ag Ag26 1 0.27272490 0.64597264 0.79602300 1.0 Ag Ag27 1 0.37457062 0.40021514 0.91821255 1.0 Ag Ag28 1 0.22727510 0.14597264 0.29602300 1.0 Ag Ag29 1 0.86109266 0.75000000 0.38072992 1.0 Ag Ag30 1 0.98850699 0.35951274 0.89027430 1.0 Ag Ag31 1 0.72727510 0.14597264 0.20397700 1.0 Ag Ag32 1 0.48850699 0.14048726 0.60972570 1.0 Ag Ag33 1 0.36714289 0.57233309 0.57678212 1.0 Ag Ag34 1 0.51149301 0.85951274 0.39027430 1.0 Ag Ag35 1 0.12542938 0.90021514 0.41821255 1.0 Ag Ag36 1 0.77272490 0.64597264 0.70397700 1.0 Ag Ag37 1 0.87457062 0.09978486 0.58178745 1.0 Ag Ag38 1 0.98850699 0.14048726 0.89027430 1.0 Ag Ag39 1 0.22727510 0.35402736 0.29602300 1.0 Te Te40 1 0.75185662 0.25000000 0.69053264 1.0 Te Te41 1 0.21235966 0.40998872 0.48986996 1.0 Te Te42 1 0.29236873 0.25000000 0.13052987 1.0 Te Te43 1 0.78764034 0.90998872 0.51013004 1.0 Te Te44 1 0.79236873 0.25000000 0.36947013 1.0 Te Te45 1 0.25185662 0.25000000 0.80946736 1.0 Te Te46 1 0.71235966 0.09001128 0.01013004 1.0 Te Te47 1 0.20763127 0.75000000 0.63052987 1.0 Te Te48 1 0.28764034 0.59001128 0.98986996 1.0 Te Te49 1 0.28764034 0.90998872 0.98986996 1.0 Te Te50 1 0.71235966 0.40998872 0.01013004 1.0 Te Te51 1 0.70763127 0.75000000 0.86947013 1.0 Te Te52 1 0.21235966 0.09001128 0.48986996 1.0 Te Te53 1 0.74814338 0.75000000 0.19053264 1.0 Te Te54 1 0.24814338 0.75000000 0.30946736 1.0 Te Te55 1 0.78764034 0.59001128 0.51013004 1.0 Cl Cl56 1 0.50528893 0.50391430 0.74592538 1.0 Cl Cl57 1 0.99471107 0.49608570 0.24592538 1.0 Cl Cl58 1 0.99471107 0.00391430 0.24592538 1.0 Cl Cl59 1 0.00528893 0.99608570 0.75407462 1.0 Cl Cl60 1 0.00528893 0.50391430 0.75407462 1.0 Cl Cl61 1 0.49471107 0.49608570 0.25407462 1.0 Cl Cl62 1 0.49471107 0.00391430 0.25407462 1.0 Cl Cl63 1 0.50528893 0.99608570 0.74592538 1.0