# generated using pymatgen data_Rb4Mo21S25 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 28.57187357 _cell_length_b 28.57187369 _cell_length_c 28.57187337 _cell_angle_alpha 19.13176970 _cell_angle_beta 19.13176901 _cell_angle_gamma 19.13176996 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb4Mo21S25 _chemical_formula_sum 'Rb8 Mo42 S50' _cell_volume 2189.90940971 _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 Rb Rb0 1 0.10085003 0.10085003 0.10085003 1.0 Rb Rb1 1 0.66013356 0.66013356 0.66013356 1.0 Rb Rb2 1 0.83986644 0.83986644 0.83986644 1.0 Rb Rb3 1 0.89914997 0.89914997 0.89914997 1.0 Rb Rb4 1 0.39914997 0.39914997 0.39914997 1.0 Rb Rb5 1 0.16013356 0.16013356 0.16013356 1.0 Rb Rb6 1 0.33986644 0.33986644 0.33986644 1.0 Rb Rb7 1 0.60085003 0.60085003 0.60085003 1.0 Mo Mo8 1 0.48065883 0.61028082 0.28831693 1.0 Mo Mo9 1 0.38971918 0.71168307 0.51934117 1.0 Mo Mo10 1 0.88971918 0.01934117 0.21168307 1.0 Mo Mo11 1 0.71168307 0.51934117 0.38971918 1.0 Mo Mo12 1 0.33133243 0.65928149 0.47037161 1.0 Mo Mo13 1 0.08546041 0.41453959 0.25000000 1.0 Mo Mo14 1 0.25000000 0.08546041 0.41453959 1.0 Mo Mo15 1 0.98065883 0.78831693 0.11028082 1.0 Mo Mo16 1 0.11028082 0.98065883 0.78831693 1.0 Mo Mo17 1 0.65928149 0.47037161 0.33133243 1.0 Mo Mo18 1 0.05487054 0.23080087 0.38243431 1.0 Mo Mo19 1 0.83133243 0.97037161 0.15928149 1.0 Mo Mo20 1 0.15928149 0.83133243 0.97037161 1.0 Mo Mo21 1 0.51934117 0.38971918 0.71168307 1.0 Mo Mo22 1 0.11756569 0.26919913 0.44512946 1.0 Mo Mo23 1 0.26919913 0.44512946 0.11756569 1.0 Mo Mo24 1 0.28831693 0.48065883 0.61028082 1.0 Mo Mo25 1 0.41453959 0.25000000 0.08546041 1.0 Mo Mo26 1 0.01934117 0.21168307 0.88971918 1.0 Mo Mo27 1 0.47037161 0.33133243 0.65928149 1.0 Mo Mo28 1 0.94512946 0.76919913 0.61756569 1.0 Mo Mo29 1 0.55487054 0.88243431 0.73080087 1.0 Mo Mo30 1 0.75000000 0.91453959 0.58546041 1.0 Mo Mo31 1 0.66866757 0.34071851 0.52962839 1.0 Mo Mo32 1 0.61028082 0.28831693 0.48065883 1.0 Mo Mo33 1 0.61756569 0.94512946 0.76919913 1.0 Mo Mo34 1 0.73080087 0.55487054 0.88243431 1.0 Mo Mo35 1 0.88243431 0.73080087 0.55487054 1.0 Mo Mo36 1 0.58546041 0.75000000 0.91453959 1.0 Mo Mo37 1 0.91453959 0.58546041 0.75000000 1.0 Mo Mo38 1 0.78831693 0.11028082 0.98065883 1.0 Mo Mo39 1 0.97037161 0.15928149 0.83133243 1.0 Mo Mo40 1 0.34071851 0.52962839 0.66866757 1.0 Mo Mo41 1 0.02962839 0.84071851 0.16866757 1.0 Mo Mo42 1 0.38243431 0.05487054 0.23080087 1.0 Mo Mo43 1 0.52962839 0.66866757 0.34071851 1.0 Mo Mo44 1 0.76919913 0.61756569 0.94512946 1.0 Mo Mo45 1 0.16866757 0.02962839 0.84071851 1.0 Mo Mo46 1 0.44512946 0.11756569 0.26919913 1.0 Mo Mo47 1 0.23080087 0.38243431 0.05487054 1.0 Mo Mo48 1 0.21168307 0.88971918 0.01934117 1.0 Mo Mo49 1 0.84071851 0.16866757 0.02962839 1.0 S S50 1 0.82881488 0.48346449 0.22838156 1.0 S S51 1 0.43774176 0.43774176 0.43774176 1.0 S S52 1 0.72838156 0.98346449 0.32881488 1.0 S S53 1 0.20902090 0.93671334 0.53046961 1.0 S S54 1 0.98346449 0.32881488 0.72838156 1.0 S S55 1 0.32021828 0.07384320 0.71946626 1.0 S S56 1 0.96953039 0.56328666 0.29097910 1.0 S S57 1 0.67118512 0.27161844 0.01653551 1.0 S S58 1 0.06225824 0.06225824 0.06225824 1.0 S S59 1 0.29928923 0.29928923 0.29928923 1.0 S S60 1 0.55034649 0.94965351 0.25000000 1.0 S S61 1 0.57384320 0.82021828 0.21946626 1.0 S S62 1 0.53046961 0.20902090 0.93671334 1.0 S S63 1 0.03046961 0.43671334 0.70902090 1.0 S S64 1 0.71946626 0.32021828 0.07384320 1.0 S S65 1 0.94965351 0.25000000 0.55034649 1.0 S S66 1 0.06328666 0.46953039 0.79097910 1.0 S S67 1 0.20071077 0.20071077 0.20071077 1.0 S S68 1 0.46953039 0.79097910 0.06328666 1.0 S S69 1 0.93774176 0.93774176 0.93774176 1.0 S S70 1 0.29097910 0.96953039 0.56328666 1.0 S S71 1 0.42615680 0.17978172 0.78053374 1.0 S S72 1 0.17978172 0.78053374 0.42615680 1.0 S S73 1 0.70902090 0.03046961 0.43671334 1.0 S S74 1 0.44965351 0.05034649 0.75000000 1.0 S S75 1 0.17118512 0.51653551 0.77161844 1.0 S S76 1 0.93671334 0.53046961 0.20902090 1.0 S S77 1 0.82021828 0.21946626 0.57384320 1.0 S S78 1 0.32881488 0.72838156 0.98346449 1.0 S S79 1 0.48346449 0.22838156 0.82881488 1.0 S S80 1 0.79097910 0.06328666 0.46953039 1.0 S S81 1 0.78053374 0.42615680 0.17978172 1.0 S S82 1 0.25000000 0.55034649 0.94965351 1.0 S S83 1 0.51653551 0.77161844 0.17118512 1.0 S S84 1 0.56225824 0.56225824 0.56225824 1.0 S S85 1 0.77161844 0.17118512 0.51653551 1.0 S S86 1 0.92615680 0.28053374 0.67978172 1.0 S S87 1 0.75000000 0.44965351 0.05034649 1.0 S S88 1 0.05034649 0.75000000 0.44965351 1.0 S S89 1 0.21946626 0.57384320 0.82021828 1.0 S S90 1 0.79928923 0.79928923 0.79928923 1.0 S S91 1 0.27161844 0.01653551 0.67118512 1.0 S S92 1 0.07384320 0.71946626 0.32021828 1.0 S S93 1 0.43671334 0.70902090 0.03046961 1.0 S S94 1 0.70071077 0.70071077 0.70071077 1.0 S S95 1 0.56328666 0.29097910 0.96953039 1.0 S S96 1 0.28053374 0.67978172 0.92615680 1.0 S S97 1 0.22838156 0.82881488 0.48346449 1.0 S S98 1 0.01653551 0.67118512 0.27161844 1.0 S S99 1 0.67978172 0.92615680 0.28053374 1.0