# generated using pymatgen data_Ga40Mo8S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.63833205 _cell_length_b 9.63833205 _cell_length_c 18.48961375 _cell_angle_alpha 89.80774593 _cell_angle_beta 89.80774593 _cell_angle_gamma 32.18891620 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga40Mo8S _chemical_formula_sum 'Ga40 Mo8 S1' _cell_volume 915.00170635 _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 Ga Ga0 1 0.39456200 0.39456200 0.53169400 1.0 Ga Ga1 1 0.87875900 0.87875900 0.03750200 1.0 Ga Ga2 1 0.12124100 0.12124100 0.96249800 1.0 Ga Ga3 1 0.60543800 0.60543800 0.46830600 1.0 Ga Ga4 1 0.53219700 0.53219700 0.60501100 1.0 Ga Ga5 1 0.03799700 0.03799700 0.12169300 1.0 Ga Ga6 1 0.96200300 0.96200300 0.87830700 1.0 Ga Ga7 1 0.46780300 0.46780300 0.39498900 1.0 Ga Ga8 1 0.36756400 0.36756400 0.92337700 1.0 Ga Ga9 1 0.86925800 0.86925800 0.42551600 1.0 Ga Ga10 1 0.13074200 0.13074200 0.57448400 1.0 Ga Ga11 1 0.63243600 0.63243600 0.07662300 1.0 Ga Ga12 1 0.92461300 0.92461300 0.62933100 1.0 Ga Ga13 1 0.42405100 0.42405100 0.13260700 1.0 Ga Ga14 1 0.57594900 0.57594900 0.86739300 1.0 Ga Ga15 1 0.07538700 0.07538700 0.37066900 1.0 Ga Ga16 1 0.00000000 0.50000000 0.00000000 1.0 Ga Ga17 1 0.50000000 0.00000000 0.50000000 1.0 Ga Ga18 1 0.50000000 0.00000000 0.00000000 1.0 Ga Ga19 1 0.00000000 0.50000000 0.50000000 1.0 Ga Ga20 1 0.74851200 0.25355300 0.74816700 1.0 Ga Ga21 1 0.25148800 0.74644700 0.25183300 1.0 Ga Ga22 1 0.25355300 0.74851200 0.74816700 1.0 Ga Ga23 1 0.74644700 0.25148800 0.25183300 1.0 Ga Ga24 1 0.89795600 0.40045900 0.71328600 1.0 Ga Ga25 1 0.40280900 0.89738600 0.21613100 1.0 Ga Ga26 1 0.10261400 0.59719100 0.78386900 1.0 Ga Ga27 1 0.59954100 0.10204400 0.28671400 1.0 Ga Ga28 1 0.46488600 0.96374400 0.84928300 1.0 Ga Ga29 1 0.96579300 0.46386600 0.35142900 1.0 Ga Ga30 1 0.53613400 0.03420700 0.64857100 1.0 Ga Ga31 1 0.03625600 0.53511400 0.15071700 1.0 Ga Ga32 1 0.59719100 0.10261400 0.78386900 1.0 Ga Ga33 1 0.10204400 0.59954100 0.28671400 1.0 Ga Ga34 1 0.40045900 0.89795600 0.71328600 1.0 Ga Ga35 1 0.89738600 0.40280900 0.21613100 1.0 Ga Ga36 1 0.03420700 0.53613400 0.64857100 1.0 Ga Ga37 1 0.53511400 0.03625600 0.15071700 1.0 Ga Ga38 1 0.96374400 0.46488600 0.84928300 1.0 Ga Ga39 1 0.46386600 0.96579300 0.35142900 1.0 Mo Mo40 1 0.09518000 0.09518000 0.82155500 1.0 Mo Mo41 1 0.59296200 0.59296200 0.32659800 1.0 Mo Mo42 1 0.40703800 0.40703800 0.67340200 1.0 Mo Mo43 1 0.90482000 0.90482000 0.17844500 1.0 Mo Mo44 1 0.82212600 0.82212600 0.90406500 1.0 Mo Mo45 1 0.32561300 0.32561300 0.40688100 1.0 Mo Mo46 1 0.67438700 0.67438700 0.59311900 1.0 Mo Mo47 1 0.17787400 0.17787400 0.09593500 1.0 S S48 1 0.00000000 0.00000000 0.00000000 1.0