# generated using pymatgen data_Rb5Mo27Se31 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.73074803 _cell_length_b 9.73074803 _cell_length_c 37.79311300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000020 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb5Mo27Se31 _chemical_formula_sum 'Rb10 Mo54 Se62' _cell_volume 3099.10114703 _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 0.66666700 0.33333300 0.52291300 1.0 Rb Rb1 1 0.33333300 0.66666700 0.31329200 1.0 Rb Rb2 1 0.66666700 0.33333300 0.81329200 1.0 Rb Rb3 1 0.66666700 0.33333300 0.68670800 1.0 Rb Rb4 1 0.66666700 0.33333300 0.97708700 1.0 Rb Rb5 1 0.00000000 0.00000000 0.25000000 1.0 Rb Rb6 1 0.33333300 0.66666700 0.02291300 1.0 Rb Rb7 1 0.00000000 0.00000000 0.75000000 1.0 Rb Rb8 1 0.33333300 0.66666700 0.18670800 1.0 Rb Rb9 1 0.33333300 0.66666700 0.47708700 1.0 Mo Mo10 1 0.98404400 0.15091700 0.52936300 1.0 Mo Mo11 1 0.68484500 0.18484600 0.25000000 1.0 Mo Mo12 1 0.50173600 0.68796400 0.87047000 1.0 Mo Mo13 1 0.16634600 0.65006800 0.69015700 1.0 Mo Mo14 1 0.15091700 0.16687300 0.02936300 1.0 Mo Mo15 1 0.16755900 0.02244700 0.40898600 1.0 Mo Mo16 1 0.31515500 0.81515400 0.75000000 1.0 Mo Mo17 1 0.84908300 0.83312700 0.97063700 1.0 Mo Mo18 1 0.83312700 0.98404400 0.02936300 1.0 Mo Mo19 1 0.34993200 0.51627800 0.80984300 1.0 Mo Mo20 1 0.97755300 0.14511200 0.40898600 1.0 Mo Mo21 1 0.51627800 0.16634600 0.19015700 1.0 Mo Mo22 1 0.48372200 0.83365400 0.80984300 1.0 Mo Mo23 1 0.16687300 0.01595600 0.52936300 1.0 Mo Mo24 1 0.02244700 0.85488800 0.59101400 1.0 Mo Mo25 1 0.83312700 0.98404400 0.47063700 1.0 Mo Mo26 1 0.14511200 0.16755900 0.90898600 1.0 Mo Mo27 1 0.14511200 0.16755900 0.59101400 1.0 Mo Mo28 1 0.83365400 0.34993200 0.19015700 1.0 Mo Mo29 1 0.02244700 0.85488800 0.90898600 1.0 Mo Mo30 1 0.16687300 0.01595600 0.97063700 1.0 Mo Mo31 1 0.48372200 0.83365400 0.69015700 1.0 Mo Mo32 1 0.85488800 0.83244100 0.09101400 1.0 Mo Mo33 1 0.01595600 0.84908300 0.02936300 1.0 Mo Mo34 1 0.34993200 0.51627800 0.69015700 1.0 Mo Mo35 1 0.83365400 0.34993200 0.30984300 1.0 Mo Mo36 1 0.16634600 0.65006800 0.80984300 1.0 Mo Mo37 1 0.65006800 0.48372200 0.19015700 1.0 Mo Mo38 1 0.50173600 0.68796400 0.62953000 1.0 Mo Mo39 1 0.81515400 0.49999800 0.25000000 1.0 Mo Mo40 1 0.81377200 0.50173600 0.12953000 1.0 Mo Mo41 1 0.98404400 0.15091700 0.97063700 1.0 Mo Mo42 1 0.31203600 0.81377200 0.87047000 1.0 Mo Mo43 1 0.18622800 0.49826400 0.62953000 1.0 Mo Mo44 1 0.16755900 0.02244700 0.09101400 1.0 Mo Mo45 1 0.49826400 0.31203600 0.12953000 1.0 Mo Mo46 1 0.97755300 0.14511200 0.09101400 1.0 Mo Mo47 1 0.01595600 0.84908300 0.47063700 1.0 Mo Mo48 1 0.65006800 0.48372200 0.30984300 1.0 Mo Mo49 1 0.18484600 0.50000200 0.75000000 1.0 Mo Mo50 1 0.83244100 0.97755300 0.90898600 1.0 Mo Mo51 1 0.68796400 0.18622800 0.12953000 1.0 Mo Mo52 1 0.15091700 0.16687300 0.47063700 1.0 Mo Mo53 1 0.49999800 0.68484500 0.75000000 1.0 Mo Mo54 1 0.83244100 0.97755300 0.59101400 1.0 Mo Mo55 1 0.85488800 0.83244100 0.40898600 1.0 Mo Mo56 1 0.84908300 0.83312700 0.52936300 1.0 Mo Mo57 1 0.51627800 0.16634600 0.30984300 1.0 Mo Mo58 1 0.68796400 0.18622800 0.37047000 1.0 Mo Mo59 1 0.50000200 0.31515500 0.25000000 1.0 Mo Mo60 1 0.81377200 0.50173600 0.37047000 1.0 Mo Mo61 1 0.18622800 0.49826400 0.87047000 1.0 Mo Mo62 1 0.49826400 0.31203600 0.37047000 1.0 Mo Mo63 1 0.31203600 0.81377200 0.62953000 1.0 Se Se64 1 0.29906500 0.95824200 0.81035300 1.0 Se Se65 1 0.00000000 0.00000000 0.14462700 1.0 Se Se66 1 0.03883900 0.70977400 0.41422400 1.0 Se Se67 1 0.00454500 0.62743300 0.63389200 1.0 Se Se68 1 0.67541200 0.96798500 0.96877200 1.0 Se Se69 1 0.70742700 0.67541200 0.03122800 1.0 Se Se70 1 0.62288800 0.99545500 0.63389200 1.0 Se Se71 1 0.95824200 0.65917600 0.31035300 1.0 Se Se72 1 0.62923500 0.62660200 0.25000000 1.0 Se Se73 1 0.62743300 0.62288800 0.13389200 1.0 Se Se74 1 0.37711200 0.00454500 0.36610800 1.0 Se Se75 1 0.37256700 0.37711200 0.63389200 1.0 Se Se76 1 0.33333300 0.66666700 0.92400700 1.0 Se Se77 1 0.32906500 0.03883900 0.91422400 1.0 Se Se78 1 0.03201500 0.70742700 0.96877200 1.0 Se Se79 1 0.99545500 0.37256700 0.36610800 1.0 Se Se80 1 0.99545500 0.37256700 0.13389200 1.0 Se Se81 1 0.03201500 0.70742700 0.53122800 1.0 Se Se82 1 0.00000000 0.00000000 0.35537300 1.0 Se Se83 1 0.00263200 0.62923500 0.75000000 1.0 Se Se84 1 0.33333300 0.66666700 0.57599300 1.0 Se Se85 1 0.34082400 0.29906500 0.18964700 1.0 Se Se86 1 0.37256700 0.37711200 0.86610800 1.0 Se Se87 1 0.95824200 0.65917600 0.18964700 1.0 Se Se88 1 0.37339800 0.00263200 0.25000000 1.0 Se Se89 1 0.29022600 0.32906500 0.08577600 1.0 Se Se90 1 0.62288800 0.99545500 0.86610800 1.0 Se Se91 1 0.66666700 0.33333300 0.42400700 1.0 Se Se92 1 0.99736800 0.37076500 0.25000000 1.0 Se Se93 1 0.67541200 0.96798500 0.53122800 1.0 Se Se94 1 0.00454500 0.62743300 0.86610800 1.0 Se Se95 1 0.70093500 0.04175800 0.18964700 1.0 Se Se96 1 0.34082400 0.29906500 0.31035300 1.0 Se Se97 1 0.29906500 0.95824200 0.68964700 1.0 Se Se98 1 0.04175800 0.34082400 0.81035300 1.0 Se Se99 1 0.70093500 0.04175800 0.31035300 1.0 Se Se100 1 0.29257300 0.32458800 0.53122800 1.0 Se Se101 1 0.70742700 0.67541200 0.46877200 1.0 Se Se102 1 0.65917600 0.70093500 0.68964700 1.0 Se Se103 1 0.32458800 0.03201500 0.46877200 1.0 Se Se104 1 0.32906500 0.03883900 0.58577600 1.0 Se Se105 1 0.96798500 0.29257300 0.46877200 1.0 Se Se106 1 0.70977400 0.67093500 0.91422400 1.0 Se Se107 1 0.96116100 0.29022600 0.58577600 1.0 Se Se108 1 0.67093500 0.96116100 0.41422400 1.0 Se Se109 1 0.03883900 0.70977400 0.08577600 1.0 Se Se110 1 0.37076500 0.37339800 0.75000000 1.0 Se Se111 1 0.96798500 0.29257300 0.03122800 1.0 Se Se112 1 0.96116100 0.29022600 0.91422400 1.0 Se Se113 1 0.70977400 0.67093500 0.58577600 1.0 Se Se114 1 0.00000000 0.00000000 0.64462700 1.0 Se Se115 1 0.29022600 0.32906500 0.41422400 1.0 Se Se116 1 0.37711200 0.00454500 0.13389200 1.0 Se Se117 1 0.00000000 0.00000000 0.85537300 1.0 Se Se118 1 0.62743300 0.62288800 0.36610800 1.0 Se Se119 1 0.65917600 0.70093500 0.81035300 1.0 Se Se120 1 0.32458800 0.03201500 0.03122800 1.0 Se Se121 1 0.29257300 0.32458800 0.96877200 1.0 Se Se122 1 0.62660200 0.99736800 0.75000000 1.0 Se Se123 1 0.66666700 0.33333300 0.07599300 1.0 Se Se124 1 0.67093500 0.96116100 0.08577600 1.0 Se Se125 1 0.04175800 0.34082400 0.68964700 1.0