# generated using pymatgen data_Rb6Mo27S31 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.39565311 _cell_length_b 9.39565311 _cell_length_c 37.60496282 _cell_angle_alpha 82.82353438 _cell_angle_beta 82.82353438 _cell_angle_gamma 60.00000414 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb6Mo27S31 _chemical_formula_sum 'Rb12 Mo54 S62' _cell_volume 2844.87744462 _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 0.59602637 0.59602637 0.21192089 1.0 Rb Rb1 1 0.09602637 0.09602637 0.71192089 1.0 Rb Rb2 1 0.40397363 0.40397363 0.78807911 1.0 Rb Rb3 1 0.90397363 0.90397363 0.28807911 1.0 Rb Rb4 1 0.63776132 0.63776132 0.08671604 1.0 Rb Rb5 1 0.13776132 0.13776132 0.58671604 1.0 Rb Rb6 1 0.36223868 0.36223868 0.91328396 1.0 Rb Rb7 1 0.86223868 0.86223868 0.41328396 1.0 Rb Rb8 1 0.68165227 0.68165227 0.95504319 1.0 Rb Rb9 1 0.18165227 0.18165227 0.45504319 1.0 Rb Rb10 1 0.31834773 0.31834773 0.04495681 1.0 Rb Rb11 1 0.81834773 0.81834773 0.54495681 1.0 Mo Mo12 1 0.23755330 0.39044375 0.31194694 1.0 Mo Mo13 1 0.39044375 0.06005601 0.31194694 1.0 Mo Mo14 1 0.06005601 0.23755330 0.31194694 1.0 Mo Mo15 1 0.73755330 0.56005601 0.81194694 1.0 Mo Mo16 1 0.56005601 0.89044375 0.81194694 1.0 Mo Mo17 1 0.89044375 0.73755330 0.81194694 1.0 Mo Mo18 1 0.76244670 0.60955625 0.68805306 1.0 Mo Mo19 1 0.60955625 0.93994399 0.68805306 1.0 Mo Mo20 1 0.93994399 0.76244670 0.68805306 1.0 Mo Mo21 1 0.26244670 0.43994399 0.18805306 1.0 Mo Mo22 1 0.43994399 0.10955625 0.18805306 1.0 Mo Mo23 1 0.10955625 0.26244670 0.18805306 1.0 Mo Mo24 1 0.08425396 0.41574604 0.25000000 1.0 Mo Mo25 1 0.41574604 0.25000000 0.25000000 1.0 Mo Mo26 1 0.25000000 0.08425396 0.25000000 1.0 Mo Mo27 1 0.58425396 0.75000000 0.75000000 1.0 Mo Mo28 1 0.75000000 0.91574604 0.75000000 1.0 Mo Mo29 1 0.91574604 0.58425396 0.75000000 1.0 Mo Mo30 1 0.72381760 0.52683334 0.34909607 1.0 Mo Mo31 1 0.52683334 0.40025299 0.34909607 1.0 Mo Mo32 1 0.40025299 0.72381760 0.34909607 1.0 Mo Mo33 1 0.22381760 0.90025299 0.84909607 1.0 Mo Mo34 1 0.90025299 0.02683334 0.84909607 1.0 Mo Mo35 1 0.02683334 0.22381760 0.84909607 1.0 Mo Mo36 1 0.27618240 0.47316666 0.65090393 1.0 Mo Mo37 1 0.47316666 0.59974701 0.65090393 1.0 Mo Mo38 1 0.59974701 0.27618240 0.65090393 1.0 Mo Mo39 1 0.77618240 0.09974701 0.15090393 1.0 Mo Mo40 1 0.09974701 0.97316666 0.15090393 1.0 Mo Mo41 1 0.97316666 0.77618240 0.15090393 1.0 Mo Mo42 1 0.35632506 0.54740018 0.41063237 1.0 Mo Mo43 1 0.54740018 0.68564239 0.41063237 1.0 Mo Mo44 1 0.68564239 0.35632506 0.41063237 1.0 Mo Mo45 1 0.85632506 0.18564239 0.91063237 1.0 Mo Mo46 1 0.18564239 0.04740018 0.91063237 1.0 Mo Mo47 1 0.04740018 0.85632506 0.91063237 1.0 Mo Mo48 1 0.64367494 0.45259982 0.58936763 1.0 Mo Mo49 1 0.45259982 0.31435761 0.58936763 1.0 Mo Mo50 1 0.31435761 0.64367494 0.58936763 1.0 Mo Mo51 1 0.14367494 0.81435761 0.08936763 1.0 Mo Mo52 1 0.81435761 0.95259982 0.08936763 1.0 Mo Mo53 1 0.95259982 0.14367494 0.08936763 1.0 Mo Mo54 1 0.68321602 0.49135957 0.46977237 1.0 Mo Mo55 1 0.49135957 0.35565204 0.46977237 1.0 Mo Mo56 1 0.35565204 0.68321602 0.46977237 1.0 Mo Mo57 1 0.18321602 0.85565204 0.96977237 1.0 Mo Mo58 1 0.85565204 0.99135957 0.96977237 1.0 Mo Mo59 1 0.99135957 0.18321602 0.96977237 1.0 Mo Mo60 1 0.31678398 0.50864043 0.53022763 1.0 Mo Mo61 1 0.50864043 0.64434796 0.53022763 1.0 Mo Mo62 1 0.64434796 0.31678398 0.53022763 1.0 Mo Mo63 1 0.81678398 0.14434796 0.03022763 1.0 Mo Mo64 1 0.14434796 0.00864043 0.03022763 1.0 Mo Mo65 1 0.00864043 0.81678398 0.03022763 1.0 S S66 1 0.46083346 0.78519319 0.69434391 1.0 S S67 1 0.78519319 0.05962944 0.69434391 1.0 S S68 1 0.05962944 0.46083346 0.69434391 1.0 S S69 1 0.96083346 0.55962944 0.19434391 1.0 S S70 1 0.55962944 0.28519319 0.19434391 1.0 S S71 1 0.28519319 0.96083346 0.19434391 1.0 S S72 1 0.53916654 0.21480681 0.30565609 1.0 S S73 1 0.21480681 0.94037056 0.30565609 1.0 S S74 1 0.94037056 0.53916654 0.30565609 1.0 S S75 1 0.03916654 0.44037056 0.80565609 1.0 S S76 1 0.44037056 0.71480681 0.80565609 1.0 S S77 1 0.71480681 0.03916654 0.80565609 1.0 S S78 1 0.05383731 0.75000000 0.75000000 1.0 S S79 1 0.75000000 0.44616269 0.75000000 1.0 S S80 1 0.44616269 0.05383731 0.75000000 1.0 S S81 1 0.55383731 0.94616269 0.25000000 1.0 S S82 1 0.94616269 0.25000000 0.25000000 1.0 S S83 1 0.25000000 0.55383731 0.25000000 1.0 S S84 1 0.22400221 0.58939677 0.35428395 1.0 S S85 1 0.58939677 0.83231708 0.35428395 1.0 S S86 1 0.83231708 0.22400221 0.35428395 1.0 S S87 1 0.72400221 0.33231708 0.85428395 1.0 S S88 1 0.33231708 0.08939677 0.85428395 1.0 S S89 1 0.08939677 0.72400221 0.85428395 1.0 S S90 1 0.77599779 0.41060323 0.64571605 1.0 S S91 1 0.41060323 0.16768292 0.64571605 1.0 S S92 1 0.16768292 0.77599779 0.64571605 1.0 S S93 1 0.27599779 0.66768292 0.14571605 1.0 S S94 1 0.66768292 0.91060323 0.14571605 1.0 S S95 1 0.91060323 0.27599779 0.14571605 1.0 S S96 1 0.34998148 0.74301540 0.90946246 1.0 S S97 1 0.74301540 0.99754066 0.90946246 1.0 S S98 1 0.99754066 0.34998148 0.90946246 1.0 S S99 1 0.84998148 0.49754066 0.40946246 1.0 S S100 1 0.49754066 0.24301540 0.40946246 1.0 S S101 1 0.24301540 0.84998148 0.40946246 1.0 S S102 1 0.65001852 0.25698460 0.09053754 1.0 S S103 1 0.25698460 0.00245934 0.09053754 1.0 S S104 1 0.00245934 0.65001852 0.09053754 1.0 S S105 1 0.15001852 0.50245934 0.59053754 1.0 S S106 1 0.50245934 0.75698460 0.59053754 1.0 S S107 1 0.75698460 0.15001852 0.59053754 1.0 S S108 1 0.29746237 0.04637559 0.97037100 1.0 S S109 1 0.04637559 0.68579104 0.97037100 1.0 S S110 1 0.68579104 0.29746237 0.97037100 1.0 S S111 1 0.79746237 0.18579104 0.47037100 1.0 S S112 1 0.18579104 0.54637559 0.47037100 1.0 S S113 1 0.54637559 0.79746237 0.47037100 1.0 S S114 1 0.70253763 0.95362441 0.02962900 1.0 S S115 1 0.95362441 0.31420896 0.02962900 1.0 S S116 1 0.31420896 0.70253763 0.02962900 1.0 S S117 1 0.20253763 0.81420896 0.52962900 1.0 S S118 1 0.81420896 0.45362441 0.52962900 1.0 S S119 1 0.45362441 0.20253763 0.52962900 1.0 S S120 1 0.71279195 0.71279195 0.86162415 1.0 S S121 1 0.21279195 0.21279195 0.36162415 1.0 S S122 1 0.28720805 0.28720805 0.13837585 1.0 S S123 1 0.78720805 0.78720805 0.63837585 1.0 S S124 1 0.56686761 0.56686761 0.29939716 1.0 S S125 1 0.06686761 0.06686761 0.79939716 1.0 S S126 1 0.43313239 0.43313239 0.70060284 1.0 S S127 1 0.93313239 0.93313239 0.20060284 1.0