# generated using pymatgen data_Sb3H36(C3I2)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.47680674 _cell_length_b 13.47680674 _cell_length_c 13.47680674 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sb3H36(C3I2)4 _chemical_formula_sum 'Sb6 H72 C24 I16' _cell_volume 1884.25254715 _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 Sb Sb0 1 0.62500000 0.37500000 0.25000000 1.0 Sb Sb1 1 0.87500000 0.12500000 0.75000000 1.0 Sb Sb2 1 0.75000000 0.87500000 0.12500000 1.0 Sb Sb3 1 0.25000000 0.62500000 0.37500000 1.0 Sb Sb4 1 0.12500000 0.75000000 0.87500000 1.0 Sb Sb5 1 0.37500000 0.25000000 0.62500000 1.0 H H6 1 0.76097300 0.61991000 0.38397000 1.0 H H7 1 0.76406000 0.88009000 0.64106200 1.0 H H8 1 0.73902700 0.12299700 0.85893800 1.0 H H9 1 0.73594000 0.37700300 0.11603000 1.0 H H10 1 0.88397000 0.11991000 0.26097300 1.0 H H11 1 0.14106200 0.38009000 0.26406000 1.0 H H12 1 0.35893800 0.62299700 0.23902700 1.0 H H13 1 0.61603000 0.87700300 0.23594000 1.0 H H14 1 0.38397000 0.76097300 0.61991000 1.0 H H15 1 0.64106200 0.76406000 0.88009000 1.0 H H16 1 0.85893800 0.73902700 0.12299700 1.0 H H17 1 0.11603000 0.73594000 0.37700300 1.0 H H18 1 0.26097300 0.88397000 0.11991000 1.0 H H19 1 0.26406000 0.14106200 0.38009000 1.0 H H20 1 0.23902700 0.35893800 0.62299700 1.0 H H21 1 0.23594000 0.61603000 0.87700300 1.0 H H22 1 0.61991000 0.38397000 0.76097300 1.0 H H23 1 0.88009000 0.64106200 0.76406000 1.0 H H24 1 0.12299700 0.85893800 0.73902700 1.0 H H25 1 0.37700300 0.11603000 0.73594000 1.0 H H26 1 0.11991000 0.26097300 0.88397000 1.0 H H27 1 0.38009000 0.26406000 0.14106200 1.0 H H28 1 0.62299700 0.23902700 0.35893800 1.0 H H29 1 0.87700300 0.23594000 0.61603000 1.0 H H30 1 0.63527100 0.57630700 0.24422900 1.0 H H31 1 0.66792100 0.92369300 0.55896400 1.0 H H32 1 0.86472900 0.10895800 0.94103600 1.0 H H33 1 0.83207900 0.39104200 0.25577100 1.0 H H34 1 0.74422900 0.07630700 0.13527100 1.0 H H35 1 0.05896400 0.42369300 0.16792100 1.0 H H36 1 0.44103600 0.60895800 0.36472900 1.0 H H37 1 0.75577100 0.89104200 0.33207900 1.0 H H38 1 0.24422900 0.63527100 0.57630700 1.0 H H39 1 0.55896400 0.66792100 0.92369300 1.0 H H40 1 0.94103600 0.86472900 0.10895800 1.0 H H41 1 0.25577100 0.83207900 0.39104200 1.0 H H42 1 0.13527100 0.74422900 0.07630700 1.0 H H43 1 0.16792100 0.05896400 0.42369300 1.0 H H44 1 0.36472900 0.44103600 0.60895800 1.0 H H45 1 0.33207900 0.75577100 0.89104200 1.0 H H46 1 0.57630700 0.24422900 0.63527100 1.0 H H47 1 0.92369300 0.55896400 0.66792100 1.0 H H48 1 0.10895800 0.94103600 0.86472900 1.0 H H49 1 0.39104200 0.25577100 0.83207900 1.0 H H50 1 0.07630700 0.13527100 0.74422900 1.0 H H51 1 0.42369300 0.16792100 0.05896400 1.0 H H52 1 0.60895800 0.36472900 0.44103600 1.0 H H53 1 0.89104200 0.33207900 0.75577100 1.0 H H54 1 0.61239000 0.57200500 0.36758100 1.0 H H55 1 0.79557600 0.92799500 0.54038500 1.0 H H56 1 0.88761000 0.25519100 0.95961500 1.0 H H57 1 0.70442400 0.24480900 0.13241900 1.0 H H58 1 0.86758100 0.07200500 0.11239000 1.0 H H59 1 0.04038500 0.42799500 0.29557600 1.0 H H60 1 0.45961500 0.75519100 0.38761000 1.0 H H61 1 0.63241900 0.74480900 0.20442400 1.0 H H62 1 0.36758100 0.61239000 0.57200500 1.0 H H63 1 0.54038500 0.79557600 0.92799500 1.0 H H64 1 0.95961500 0.88761000 0.25519100 1.0 H H65 1 0.13241900 0.70442400 0.24480900 1.0 H H66 1 0.11239000 0.86758100 0.07200500 1.0 H H67 1 0.29557600 0.04038500 0.42799500 1.0 H H68 1 0.38761000 0.45961500 0.75519100 1.0 H H69 1 0.20442400 0.63241900 0.74480900 1.0 H H70 1 0.57200500 0.36758100 0.61239000 1.0 H H71 1 0.92799500 0.54038500 0.79557600 1.0 H H72 1 0.25519100 0.95961500 0.88761000 1.0 H H73 1 0.24480900 0.13241900 0.70442400 1.0 H H74 1 0.07200500 0.11239000 0.86758100 1.0 H H75 1 0.42799500 0.29557600 0.04038500 1.0 H H76 1 0.75519100 0.38761000 0.45961500 1.0 H H77 1 0.74480900 0.20442400 0.63241900 1.0 C C78 1 0.66349100 0.55932100 0.32055000 1.0 C C79 1 0.76122900 0.94067900 0.60416900 1.0 C C80 1 0.83650900 0.15705900 0.89583100 1.0 C C81 1 0.73877100 0.34294100 0.17945000 1.0 C C82 1 0.82055000 0.05932100 0.16349100 1.0 C C83 1 0.10416900 0.44067900 0.26122900 1.0 C C84 1 0.39583100 0.65705900 0.33650900 1.0 C C85 1 0.67945000 0.84294100 0.23877100 1.0 C C86 1 0.32055000 0.66349100 0.55932100 1.0 C C87 1 0.60416900 0.76122900 0.94067900 1.0 C C88 1 0.89583100 0.83650900 0.15705900 1.0 C C89 1 0.17945000 0.73877100 0.34294100 1.0 C C90 1 0.16349100 0.82055000 0.05932100 1.0 C C91 1 0.26122900 0.10416900 0.44067900 1.0 C C92 1 0.33650900 0.39583100 0.65705900 1.0 C C93 1 0.23877100 0.67945000 0.84294100 1.0 C C94 1 0.55932100 0.32055000 0.66349100 1.0 C C95 1 0.94067900 0.60416900 0.76122900 1.0 C C96 1 0.15705900 0.89583100 0.83650900 1.0 C C97 1 0.34294100 0.17945000 0.73877100 1.0 C C98 1 0.05932100 0.16349100 0.82055000 1.0 C C99 1 0.44067900 0.26122900 0.10416900 1.0 C C100 1 0.65705900 0.33650900 0.39583100 1.0 C C101 1 0.84294100 0.23877100 0.67945000 1.0 I I102 1 0.50000000 0.00000000 0.11801900 1.0 I I103 1 0.11801900 0.50000000 0.00000000 1.0 I I104 1 0.00000000 0.11801900 0.50000000 1.0 I I105 1 0.38198100 0.38198100 0.38198100 1.0 I I106 1 0.61801900 0.50000000 0.00000000 1.0 I I107 1 0.50000000 0.00000000 0.61801900 1.0 I I108 1 0.00000000 0.61801900 0.50000000 1.0 I I109 1 0.88198100 0.88198100 0.88198100 1.0 I I110 1 0.50000000 0.00000000 0.36754300 1.0 I I111 1 0.36754300 0.50000000 0.00000000 1.0 I I112 1 0.00000000 0.36754300 0.50000000 1.0 I I113 1 0.13245700 0.13245700 0.13245700 1.0 I I114 1 0.86754300 0.50000000 0.00000000 1.0 I I115 1 0.50000000 0.00000000 0.86754300 1.0 I I116 1 0.00000000 0.86754300 0.50000000 1.0 I I117 1 0.63245700 0.63245700 0.63245700 1.0