# generated using pymatgen data_Rb3Mo15Se17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.71462025 _cell_length_b 9.71462025 _cell_length_c 21.19214900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000172 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb3Mo15Se17 _chemical_formula_sum 'Rb6 Mo30 Se34' _cell_volume 1732.03745808 _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 0.00000000 0.00000000 0.36207600 1.0 Rb Rb1 1 0.00000000 0.00000000 0.86207600 1.0 Rb Rb2 1 0.00000000 0.00000000 0.63792400 1.0 Rb Rb3 1 0.00000000 0.00000000 0.13792400 1.0 Rb Rb4 1 0.33333300 0.66666700 0.75000000 1.0 Rb Rb5 1 0.66666700 0.33333300 0.25000000 1.0 Mo Mo6 1 0.48166900 0.83378100 0.25000000 1.0 Mo Mo7 1 0.64788800 0.48166900 0.75000000 1.0 Mo Mo8 1 0.83378100 0.35211200 0.75000000 1.0 Mo Mo9 1 0.16621900 0.64788800 0.25000000 1.0 Mo Mo10 1 0.35211200 0.51833100 0.25000000 1.0 Mo Mo11 1 0.51833100 0.16621900 0.75000000 1.0 Mo Mo12 1 0.68382000 0.18306400 0.85677800 1.0 Mo Mo13 1 0.50075600 0.68382000 0.35677800 1.0 Mo Mo14 1 0.18306400 0.49924400 0.35677800 1.0 Mo Mo15 1 0.81693600 0.50075600 0.85677800 1.0 Mo Mo16 1 0.49924400 0.31618000 0.85677800 1.0 Mo Mo17 1 0.31618000 0.81693600 0.35677800 1.0 Mo Mo18 1 0.31618000 0.81693600 0.14322200 1.0 Mo Mo19 1 0.49924400 0.31618000 0.64322200 1.0 Mo Mo20 1 0.81693600 0.50075600 0.64322200 1.0 Mo Mo21 1 0.18306400 0.49924400 0.14322200 1.0 Mo Mo22 1 0.50075600 0.68382000 0.14322200 1.0 Mo Mo23 1 0.68382000 0.18306400 0.64322200 1.0 Mo Mo24 1 0.52021900 0.16477500 0.96510300 1.0 Mo Mo25 1 0.35544400 0.52021900 0.46510300 1.0 Mo Mo26 1 0.16477500 0.64455600 0.46510300 1.0 Mo Mo27 1 0.83522500 0.35544400 0.96510300 1.0 Mo Mo28 1 0.64455600 0.47978100 0.96510300 1.0 Mo Mo29 1 0.47978100 0.83522500 0.46510300 1.0 Mo Mo30 1 0.47978100 0.83522500 0.03489700 1.0 Mo Mo31 1 0.64455600 0.47978100 0.53489700 1.0 Mo Mo32 1 0.83522500 0.35544400 0.53489700 1.0 Mo Mo33 1 0.16477500 0.64455600 0.03489700 1.0 Mo Mo34 1 0.35544400 0.52021900 0.03489700 1.0 Mo Mo35 1 0.52021900 0.16477500 0.53489700 1.0 Se Se36 1 0.63120000 0.62464500 0.85772100 1.0 Se Se37 1 0.70644900 0.04376300 0.54292600 1.0 Se Se38 1 0.95623700 0.66268600 0.54292600 1.0 Se Se39 1 0.66268600 0.70644900 0.04292600 1.0 Se Se40 1 0.66268600 0.70644900 0.45707400 1.0 Se Se41 1 0.95623700 0.66268600 0.95707400 1.0 Se Se42 1 0.33333300 0.66666700 0.93929600 1.0 Se Se43 1 0.66666700 0.33333300 0.43929600 1.0 Se Se44 1 0.66666700 0.33333300 0.06070400 1.0 Se Se45 1 0.33333300 0.66666700 0.56070400 1.0 Se Se46 1 0.29479100 0.95972300 0.25000000 1.0 Se Se47 1 0.33506800 0.29479100 0.75000000 1.0 Se Se48 1 0.95972300 0.66493200 0.75000000 1.0 Se Se49 1 0.04027700 0.33506800 0.25000000 1.0 Se Se50 1 0.66493200 0.70520900 0.25000000 1.0 Se Se51 1 0.70520900 0.04027700 0.75000000 1.0 Se Se52 1 0.62464500 0.99344500 0.35772100 1.0 Se Se53 1 0.29355100 0.95623700 0.04292600 1.0 Se Se54 1 0.99344500 0.36880000 0.85772100 1.0 Se Se55 1 0.70644900 0.04376300 0.95707400 1.0 Se Se56 1 0.36880000 0.37535500 0.35772100 1.0 Se Se57 1 0.37535500 0.00655500 0.85772100 1.0 Se Se58 1 0.37535500 0.00655500 0.64227900 1.0 Se Se59 1 0.36880000 0.37535500 0.14227900 1.0 Se Se60 1 0.00655500 0.63120000 0.14227900 1.0 Se Se61 1 0.99344500 0.36880000 0.64227900 1.0 Se Se62 1 0.63120000 0.62464500 0.64227900 1.0 Se Se63 1 0.62464500 0.99344500 0.14227900 1.0 Se Se64 1 0.33731400 0.29355100 0.54292600 1.0 Se Se65 1 0.04376300 0.33731400 0.04292600 1.0 Se Se66 1 0.33731400 0.29355100 0.95707400 1.0 Se Se67 1 0.04376300 0.33731400 0.45707400 1.0 Se Se68 1 0.29355100 0.95623700 0.45707400 1.0 Se Se69 1 0.00655500 0.63120000 0.35772100 1.0