# generated using pymatgen data_Rb5Mo18S19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 26.54158247 _cell_length_b 26.54158257 _cell_length_c 26.54158239 _cell_angle_alpha 19.89390399 _cell_angle_beta 19.89390335 _cell_angle_gamma 19.89390316 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb5Mo18S19 _chemical_formula_sum 'Rb10 Mo36 S38' _cell_volume 1893.75076796 _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 0.72678311 0.72678311 0.72678311 1.0 Rb Rb1 1 0.96491353 0.96491353 0.96491353 1.0 Rb Rb2 1 0.90591199 0.90591199 0.90591199 1.0 Rb Rb3 1 0.84762149 0.84762149 0.84762149 1.0 Rb Rb4 1 0.78899659 0.78899659 0.78899659 1.0 Rb Rb5 1 0.15237851 0.15237851 0.15237851 1.0 Rb Rb6 1 0.03508647 0.03508647 0.03508647 1.0 Rb Rb7 1 0.09408801 0.09408801 0.09408801 1.0 Rb Rb8 1 0.27321689 0.27321689 0.27321689 1.0 Rb Rb9 1 0.21100341 0.21100341 0.21100341 1.0 Mo Mo10 1 0.27301009 0.60713342 0.40604152 1.0 Mo Mo11 1 0.51880130 0.38807540 0.72179848 1.0 Mo Mo12 1 0.46083816 0.33152238 0.66507916 1.0 Mo Mo13 1 0.63768368 0.50128094 0.83376920 1.0 Mo Mo14 1 0.45132006 0.64575507 0.78761429 1.0 Mo Mo15 1 0.38807540 0.72179848 0.51880130 1.0 Mo Mo16 1 0.54867994 0.35424493 0.21238571 1.0 Mo Mo17 1 0.66847762 0.33492084 0.53916184 1.0 Mo Mo18 1 0.72179848 0.51880130 0.38807540 1.0 Mo Mo19 1 0.21238571 0.54867994 0.35424493 1.0 Mo Mo20 1 0.40604152 0.27301009 0.60713342 1.0 Mo Mo21 1 0.61192460 0.27820152 0.48119870 1.0 Mo Mo22 1 0.77804601 0.57899655 0.44264713 1.0 Mo Mo23 1 0.48119870 0.61192460 0.27820152 1.0 Mo Mo24 1 0.59395848 0.72698991 0.39286658 1.0 Mo Mo25 1 0.55735287 0.22195399 0.42100345 1.0 Mo Mo26 1 0.22195399 0.42100345 0.55735287 1.0 Mo Mo27 1 0.39286658 0.59395848 0.72698991 1.0 Mo Mo28 1 0.44264713 0.77804601 0.57899655 1.0 Mo Mo29 1 0.33152238 0.66507916 0.46083816 1.0 Mo Mo30 1 0.60713342 0.40604152 0.27301009 1.0 Mo Mo31 1 0.49871906 0.16623080 0.36231632 1.0 Mo Mo32 1 0.64575507 0.78761429 0.45132006 1.0 Mo Mo33 1 0.27820152 0.48119870 0.61192460 1.0 Mo Mo34 1 0.78761429 0.45132006 0.64575507 1.0 Mo Mo35 1 0.16623080 0.36231632 0.49871906 1.0 Mo Mo36 1 0.33492084 0.53916184 0.66847762 1.0 Mo Mo37 1 0.83376920 0.63768368 0.50128094 1.0 Mo Mo38 1 0.72698991 0.39286658 0.59395848 1.0 Mo Mo39 1 0.53916184 0.66847762 0.33492084 1.0 Mo Mo40 1 0.66507916 0.46083816 0.33152238 1.0 Mo Mo41 1 0.50128094 0.83376920 0.63768368 1.0 Mo Mo42 1 0.36231632 0.49871906 0.16623080 1.0 Mo Mo43 1 0.57899655 0.44264713 0.77804601 1.0 Mo Mo44 1 0.42100345 0.55735287 0.22195399 1.0 Mo Mo45 1 0.35424493 0.21238571 0.54867994 1.0 S S46 1 0.73436335 0.35874658 0.10801252 1.0 S S47 1 0.69323042 0.94428285 0.32734486 1.0 S S48 1 0.04429321 0.40444875 0.66590265 1.0 S S49 1 0.77334854 0.14852048 0.53522630 1.0 S S50 1 0.30676958 0.05571715 0.67265514 1.0 S S51 1 0.68130878 0.68130878 0.68130878 1.0 S S52 1 0.33409735 0.95570679 0.59555125 1.0 S S53 1 0.31869122 0.31869122 0.31869122 1.0 S S54 1 0.22665146 0.85147952 0.46477370 1.0 S S55 1 0.14852048 0.53522630 0.77334854 1.0 S S56 1 0.52600908 0.28132954 0.90634551 1.0 S S57 1 0.10801252 0.73436335 0.35874658 1.0 S S58 1 0.94428285 0.32734486 0.69323042 1.0 S S59 1 0.28132954 0.90634551 0.52600908 1.0 S S60 1 0.40444875 0.66590265 0.04429321 1.0 S S61 1 0.90634551 0.52600908 0.28132954 1.0 S S62 1 0.59555125 0.33409735 0.95570679 1.0 S S63 1 0.53522630 0.77334854 0.14852048 1.0 S S64 1 0.85147952 0.46477370 0.22665146 1.0 S S65 1 0.67265514 0.30676958 0.05571715 1.0 S S66 1 0.79412942 0.40931893 0.16860390 1.0 S S67 1 0.09365449 0.47399092 0.71867046 1.0 S S68 1 0.26563665 0.64125342 0.89198748 1.0 S S69 1 0.89198748 0.26563665 0.64125342 1.0 S S70 1 0.32734486 0.69323042 0.94428285 1.0 S S71 1 0.95570679 0.59555125 0.33409735 1.0 S S72 1 0.40931893 0.16860390 0.79412942 1.0 S S73 1 0.59068107 0.83139610 0.20587058 1.0 S S74 1 0.35874658 0.10801252 0.73436335 1.0 S S75 1 0.83139610 0.20587058 0.59068107 1.0 S S76 1 0.47399092 0.71867046 0.09365449 1.0 S S77 1 0.64125342 0.89198748 0.26563665 1.0 S S78 1 0.71867046 0.09365449 0.47399092 1.0 S S79 1 0.05571715 0.67265514 0.30676958 1.0 S S80 1 0.46477370 0.22665146 0.85147952 1.0 S S81 1 0.66590265 0.04429321 0.40444875 1.0 S S82 1 0.20587058 0.59068107 0.83139610 1.0 S S83 1 0.16860390 0.79412942 0.40931893 1.0