# generated using pymatgen data_Al(MoS2)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.83795548 _cell_length_b 6.83795548 _cell_length_c 16.85900800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999492 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al(MoS2)12 _chemical_formula_sum 'Al1 Mo12 S24' _cell_volume 682.67690022 _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 Al Al0 1 0.33333300 0.66666700 0.33264600 1.0 Mo Mo1 1 0.47753900 0.95507800 0.86904400 1.0 Mo Mo2 1 0.14103600 0.28207200 0.53847400 1.0 Mo Mo3 1 0.80810900 0.61621800 0.19525600 1.0 Mo Mo4 1 0.33333300 0.66666700 0.72477500 1.0 Mo Mo5 1 0.00000000 0.00000000 0.39663300 1.0 Mo Mo6 1 0.66666700 0.33333300 0.05708000 1.0 Mo Mo7 1 0.04492200 0.52246100 0.86904400 1.0 Mo Mo8 1 0.71792800 0.85896400 0.53847400 1.0 Mo Mo9 1 0.38378200 0.19189100 0.19525600 1.0 Mo Mo10 1 0.47753900 0.52246100 0.86904400 1.0 Mo Mo11 1 0.14103600 0.85896400 0.53847400 1.0 Mo Mo12 1 0.80810900 0.19189100 0.19525600 1.0 S S13 1 0.15472900 0.84527100 0.78811400 1.0 S S14 1 0.82380800 0.17619200 0.45791400 1.0 S S15 1 0.48524700 0.51475300 0.11697000 1.0 S S16 1 0.33333300 0.66666700 0.96729100 1.0 S S17 1 0.00000000 0.00000000 0.63795700 1.0 S S18 1 0.66666700 0.33333300 0.29379700 1.0 S S19 1 0.69054200 0.84527100 0.78811400 1.0 S S20 1 0.35238400 0.17619200 0.45791400 1.0 S S21 1 0.02950700 0.51475300 0.11697000 1.0 S S22 1 0.35675700 0.17837900 0.95319000 1.0 S S23 1 0.02616700 0.51308400 0.62006700 1.0 S S24 1 0.69118200 0.84559100 0.28686000 1.0 S S25 1 0.82162100 0.17837900 0.95319000 1.0 S S26 1 0.48691600 0.51308400 0.62006700 1.0 S S27 1 0.15440900 0.84559100 0.28686000 1.0 S S28 1 0.82162100 0.64324300 0.95319000 1.0 S S29 1 0.48691600 0.97383300 0.62006700 1.0 S S30 1 0.15440900 0.30881800 0.28686000 1.0 S S31 1 0.66666700 0.33333300 0.79922100 1.0 S S32 1 0.33333300 0.66666700 0.46667400 1.0 S S33 1 0.00000000 0.00000000 0.13460100 1.0 S S34 1 0.15472900 0.30945800 0.78811400 1.0 S S35 1 0.82380800 0.64761600 0.45791400 1.0 S S36 1 0.48524700 0.97049300 0.11697000 1.0