# generated using pymatgen data_Rb2Mo15S19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 18.29644294 _cell_length_b 18.29644294 _cell_length_c 18.29644239 _cell_angle_alpha 32.86252871 _cell_angle_beta 32.86252871 _cell_angle_gamma 32.86252784 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb2Mo15S19 _chemical_formula_sum 'Rb4 Mo30 S38' _cell_volume 1604.54301241 _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 0.14324900 0.14324900 0.14324900 1.0 Rb Rb1 1 0.35675100 0.35675100 0.35675100 1.0 Rb Rb2 1 0.64324900 0.64324900 0.64324900 1.0 Rb Rb3 1 0.85675100 0.85675100 0.85675100 1.0 Mo Mo4 1 0.77947300 0.18987300 0.84431800 1.0 Mo Mo5 1 0.81012700 0.15568200 0.22052700 1.0 Mo Mo6 1 0.18987300 0.84431800 0.77947300 1.0 Mo Mo7 1 0.38248100 0.49163900 0.68887300 1.0 Mo Mo8 1 0.09834000 0.25000000 0.40166000 1.0 Mo Mo9 1 0.27947300 0.34431800 0.68987300 1.0 Mo Mo10 1 0.31112700 0.61751900 0.50836100 1.0 Mo Mo11 1 0.88248100 0.18887300 0.99163900 1.0 Mo Mo12 1 0.84431800 0.77947300 0.18987300 1.0 Mo Mo13 1 0.11751900 0.81112700 0.00836100 1.0 Mo Mo14 1 0.34431800 0.68987300 0.27947300 1.0 Mo Mo15 1 0.25000000 0.40166000 0.09834000 1.0 Mo Mo16 1 0.50836100 0.31112700 0.61751900 1.0 Mo Mo17 1 0.31012700 0.72052700 0.65568200 1.0 Mo Mo18 1 0.75000000 0.59834000 0.90166000 1.0 Mo Mo19 1 0.61751900 0.50836100 0.31112700 1.0 Mo Mo20 1 0.68987300 0.27947300 0.34431800 1.0 Mo Mo21 1 0.00836100 0.11751900 0.81112700 1.0 Mo Mo22 1 0.15568200 0.22052700 0.81012700 1.0 Mo Mo23 1 0.59834000 0.90166000 0.75000000 1.0 Mo Mo24 1 0.40166000 0.09834000 0.25000000 1.0 Mo Mo25 1 0.18887300 0.99163900 0.88248100 1.0 Mo Mo26 1 0.22052700 0.81012700 0.15568200 1.0 Mo Mo27 1 0.49163900 0.68887300 0.38248100 1.0 Mo Mo28 1 0.81112700 0.00836100 0.11751900 1.0 Mo Mo29 1 0.72052700 0.65568200 0.31012700 1.0 Mo Mo30 1 0.90166000 0.75000000 0.59834000 1.0 Mo Mo31 1 0.65568200 0.31012700 0.72052700 1.0 Mo Mo32 1 0.68887300 0.38248100 0.49163900 1.0 Mo Mo33 1 0.99163900 0.88248100 0.18887300 1.0 S S34 1 0.27632400 0.95422600 0.71087500 1.0 S S35 1 0.21427600 0.21427600 0.21427600 1.0 S S36 1 0.95422600 0.71087500 0.27632400 1.0 S S37 1 0.21087500 0.45422600 0.77632400 1.0 S S38 1 0.43596500 0.43596500 0.43596500 1.0 S S39 1 0.28572400 0.28572400 0.28572400 1.0 S S40 1 0.05100600 0.70253000 0.39524900 1.0 S S41 1 0.29747000 0.60475100 0.94899400 1.0 S S42 1 0.55100600 0.89524900 0.20253000 1.0 S S43 1 0.39524900 0.05100600 0.70253000 1.0 S S44 1 0.47719200 0.75000000 0.02280800 1.0 S S45 1 0.54577400 0.22367600 0.78912500 1.0 S S46 1 0.20253000 0.55100600 0.89524900 1.0 S S47 1 0.77632400 0.21087500 0.45422600 1.0 S S48 1 0.10475100 0.79747000 0.44899400 1.0 S S49 1 0.02280800 0.47719200 0.75000000 1.0 S S50 1 0.71087500 0.27632400 0.95422600 1.0 S S51 1 0.78912500 0.54577400 0.22367600 1.0 S S52 1 0.71427600 0.71427600 0.71427600 1.0 S S53 1 0.56403500 0.56403500 0.56403500 1.0 S S54 1 0.25000000 0.97719200 0.52280800 1.0 S S55 1 0.78572400 0.78572400 0.78572400 1.0 S S56 1 0.44899400 0.10475100 0.79747000 1.0 S S57 1 0.28912500 0.72367600 0.04577400 1.0 S S58 1 0.52280800 0.25000000 0.97719200 1.0 S S59 1 0.93596500 0.93596500 0.93596500 1.0 S S60 1 0.75000000 0.02280800 0.47719200 1.0 S S61 1 0.89524900 0.20253000 0.55100600 1.0 S S62 1 0.94899400 0.29747000 0.60475100 1.0 S S63 1 0.72367600 0.04577400 0.28912500 1.0 S S64 1 0.06403500 0.06403500 0.06403500 1.0 S S65 1 0.04577400 0.28912500 0.72367600 1.0 S S66 1 0.60475100 0.94899400 0.29747000 1.0 S S67 1 0.45422600 0.77632400 0.21087500 1.0 S S68 1 0.97719200 0.52280800 0.25000000 1.0 S S69 1 0.22367600 0.78912500 0.54577400 1.0 S S70 1 0.70253000 0.39524900 0.05100600 1.0 S S71 1 0.79747000 0.44899400 0.10475100 1.0