# generated using pymatgen data_TeAs2(C12Cl)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 16.14747900 _cell_length_b 10.73093400 _cell_length_c 16.51493425 _cell_angle_alpha 54.38041123 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TeAs2(C12Cl)4 _chemical_formula_sum 'Te2 As4 C96 Cl8' _cell_volume 2326.25397825 _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 Te Te0 1 0.50000000 0.00000000 0.50000000 1.0 Te Te1 1 0.00000000 0.00000000 0.00000000 1.0 As As2 1 0.58818200 0.67918200 0.07628500 1.0 As As3 1 0.91181800 0.67918200 0.57628500 1.0 As As4 1 0.41181800 0.32081800 0.92371500 1.0 As As5 1 0.08818200 0.32081800 0.42371500 1.0 C C6 1 0.72137100 0.83205000 0.11099300 1.0 C C7 1 0.77862900 0.83205000 0.61099300 1.0 C C8 1 0.27862900 0.16795000 0.88900700 1.0 C C9 1 0.22137100 0.16795000 0.38900700 1.0 C C10 1 0.77156600 0.88934700 0.14569700 1.0 C C11 1 0.72843400 0.88934700 0.64569700 1.0 C C12 1 0.22843400 0.11065300 0.85430300 1.0 C C13 1 0.27156600 0.11065300 0.35430300 1.0 C C14 1 0.72141400 0.85463600 0.22043700 1.0 C C15 1 0.77858600 0.85463600 0.72043700 1.0 C C16 1 0.27858600 0.14536400 0.77956300 1.0 C C17 1 0.22141400 0.14536400 0.27956300 1.0 C C18 1 0.65248200 0.79602900 0.27468400 1.0 C C19 1 0.84751800 0.79602900 0.77468400 1.0 C C20 1 0.34751800 0.20397100 0.72531600 1.0 C C21 1 0.15248200 0.20397100 0.22531600 1.0 C C22 1 0.61951800 0.75248300 0.22088500 1.0 C C23 1 0.88048200 0.75248300 0.72088500 1.0 C C24 1 0.38048200 0.24751700 0.77911500 1.0 C C25 1 0.11951800 0.24751700 0.27911500 1.0 C C26 1 0.64424800 0.76104800 0.13700000 1.0 C C27 1 0.85575200 0.76104800 0.63700000 1.0 C C28 1 0.35575200 0.23895200 0.86300000 1.0 C C29 1 0.14424800 0.23895200 0.36300000 1.0 C C30 1 0.40705500 0.69059700 0.07947600 1.0 C C31 1 0.09294500 0.69059700 0.57947600 1.0 C C32 1 0.59294500 0.30940300 0.92052400 1.0 C C33 1 0.90705500 0.30940300 0.42052400 1.0 C C34 1 0.32687000 0.67175200 0.10436400 1.0 C C35 1 0.17313000 0.67175200 0.60436400 1.0 C C36 1 0.67313000 0.32824800 0.89563600 1.0 C C37 1 0.82687000 0.32824800 0.39563600 1.0 C C38 1 0.33827700 0.55647400 0.19966900 1.0 C C39 1 0.16172300 0.55647400 0.69966900 1.0 C C40 1 0.66172300 0.44352600 0.80033100 1.0 C C41 1 0.83827700 0.44352600 0.30033100 1.0 C C42 1 0.38539100 0.45610900 0.27788800 1.0 C C43 1 0.11460900 0.45610900 0.77788800 1.0 C C44 1 0.61460900 0.54389100 0.72211200 1.0 C C45 1 0.88539100 0.54389100 0.22211200 1.0 C C46 1 0.45711400 0.50527900 0.22868700 1.0 C C47 1 0.04288600 0.50527900 0.72868700 1.0 C C48 1 0.54288600 0.49472100 0.77131300 1.0 C C49 1 0.95711400 0.49472100 0.27131300 1.0 C C50 1 0.47994200 0.61797000 0.13128300 1.0 C C51 1 0.02005800 0.61797000 0.63128300 1.0 C C52 1 0.52005800 0.38203000 0.86871700 1.0 C C53 1 0.97994200 0.38203000 0.36871700 1.0 C C54 1 0.55397100 0.80418900 0.86796100 1.0 C C55 1 0.94602900 0.80418900 0.36796100 1.0 C C56 1 0.44602900 0.19581100 0.13203900 1.0 C C57 1 0.05397100 0.19581100 0.63203900 1.0 C C58 1 0.54145500 0.89322200 0.76921600 1.0 C C59 1 0.95854500 0.89322200 0.26921600 1.0 C C60 1 0.45854500 0.10677800 0.23078400 1.0 C C61 1 0.04145500 0.10677800 0.73078400 1.0 C C62 1 0.56097700 0.02451500 0.75696400 1.0 C C63 1 0.93902300 0.02451500 0.25696400 1.0 C C64 1 0.43902300 0.97548500 0.24303600 1.0 C C65 1 0.06097700 0.97548500 0.74303600 1.0 C C66 1 0.58586200 0.10871600 0.78844800 1.0 C C67 1 0.91413800 0.10871600 0.28844800 1.0 C C68 1 0.41413800 0.89128400 0.21155200 1.0 C C69 1 0.08586200 0.89128400 0.71155200 1.0 C C70 1 0.59184100 0.98804700 0.88408400 1.0 C C71 1 0.90815900 0.98804700 0.38408400 1.0 C C72 1 0.40815900 0.01195300 0.11591600 1.0 C C73 1 0.09184100 0.01195300 0.61591600 1.0 C C74 1 0.57934600 0.83088300 0.93719300 1.0 C C75 1 0.92065400 0.83088300 0.43719300 1.0 C C76 1 0.42065400 0.16911700 0.06280700 1.0 C C77 1 0.07934600 0.16911700 0.56280700 1.0 C C78 1 0.64508300 0.35651300 0.16803400 1.0 C C79 1 0.85491700 0.35651300 0.66803400 1.0 C C80 1 0.35491700 0.64348700 0.83196600 1.0 C C81 1 0.14508300 0.64348700 0.33196600 1.0 C C82 1 0.68611200 0.23293500 0.18938100 1.0 C C83 1 0.81388800 0.23293500 0.68938100 1.0 C C84 1 0.31388800 0.76706500 0.81061900 1.0 C C85 1 0.18611200 0.76706500 0.31061900 1.0 C C86 1 0.73965700 0.31032500 0.11389800 1.0 C C87 1 0.76034300 0.31032500 0.61389800 1.0 C C88 1 0.26034300 0.68967500 0.88610200 1.0 C C89 1 0.23965700 0.68967500 0.38610200 1.0 C C90 1 0.77029000 0.43849700 0.03318200 1.0 C C91 1 0.72971000 0.43849700 0.53318200 1.0 C C92 1 0.22971000 0.56150300 0.96681800 1.0 C C93 1 0.27029000 0.56150300 0.46681800 1.0 C C94 1 0.71688500 0.53144600 0.03487500 1.0 C C95 1 0.78311500 0.53144600 0.53487500 1.0 C C96 1 0.28311500 0.46855400 0.96512500 1.0 C C97 1 0.21688500 0.46855400 0.46512500 1.0 C C98 1 0.65021700 0.51318000 0.09444200 1.0 C C99 1 0.84978300 0.51318000 0.59444200 1.0 C C100 1 0.34978300 0.48682000 0.90555800 1.0 C C101 1 0.15021700 0.48682000 0.40555800 1.0 Cl Cl102 1 0.60523600 0.88494000 0.44963500 1.0 Cl Cl103 1 0.89476400 0.88494000 0.94963500 1.0 Cl Cl104 1 0.39476400 0.11506000 0.55036500 1.0 Cl Cl105 1 0.10523600 0.11506000 0.05036500 1.0 Cl Cl106 1 0.59653200 0.21747400 0.44940800 1.0 Cl Cl107 1 0.90346800 0.21747400 0.94940800 1.0 Cl Cl108 1 0.40346800 0.78252600 0.55059200 1.0 Cl Cl109 1 0.09653200 0.78252600 0.05059200 1.0