# generated using pymatgen data_Rb2Mo15Se19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.91218859 _cell_length_b 9.90870342 _cell_length_c 20.50611229 _cell_angle_alpha 76.01879290 _cell_angle_beta 76.04892704 _cell_angle_gamma 60.01162949 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb2Mo15Se19 _chemical_formula_sum 'Rb4 Mo30 Se38' _cell_volume 1675.30263651 _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 0.88651299 0.88653192 0.34040834 1.0 Rb Rb1 1 0.38651299 0.38654675 0.84040834 1.0 Rb Rb2 1 0.11348701 0.11346808 0.65959166 1.0 Rb Rb3 1 0.61348701 0.61345325 0.15959166 1.0 Mo Mo4 1 0.68582479 0.49815486 0.44208669 1.0 Mo Mo5 1 0.49821566 0.37419821 0.44235281 1.0 Mo Mo6 1 0.37411166 0.68541098 0.44221265 1.0 Mo Mo7 1 0.18582479 0.87393365 0.94208669 1.0 Mo Mo8 1 0.87411166 0.99826472 0.94221265 1.0 Mo Mo9 1 0.99821566 0.18523333 0.94235281 1.0 Mo Mo10 1 0.31417521 0.50184514 0.55791331 1.0 Mo Mo11 1 0.50178434 0.62580179 0.55764719 1.0 Mo Mo12 1 0.62588834 0.31458902 0.55778735 1.0 Mo Mo13 1 0.81417521 0.12606635 0.05791331 1.0 Mo Mo14 1 0.12588834 0.00173528 0.05778735 1.0 Mo Mo15 1 0.00178434 0.81476667 0.05764719 1.0 Mo Mo16 1 0.77853957 0.63948312 0.63300422 1.0 Mo Mo17 1 0.63959609 0.94894485 0.63292602 1.0 Mo Mo18 1 0.94891775 0.77858869 0.63305859 1.0 Mo Mo19 1 0.27853957 0.44897308 0.13300422 1.0 Mo Mo20 1 0.44891775 0.13943497 0.13305859 1.0 Mo Mo21 1 0.13959609 0.27853303 0.13292602 1.0 Mo Mo22 1 0.22146043 0.36051688 0.36699578 1.0 Mo Mo23 1 0.36040391 0.05105515 0.36707398 1.0 Mo Mo24 1 0.05108225 0.22141131 0.36694141 1.0 Mo Mo25 1 0.72146043 0.55102692 0.86699578 1.0 Mo Mo26 1 0.55108225 0.86056503 0.86694141 1.0 Mo Mo27 1 0.86040391 0.72146697 0.86707398 1.0 Mo Mo28 1 0.90695281 0.59311138 0.74999048 1.0 Mo Mo29 1 0.59304719 0.75005466 0.75000952 1.0 Mo Mo30 1 0.75000000 0.90702939 0.75000000 1.0 Mo Mo31 1 0.40695281 0.24994534 0.24999048 1.0 Mo Mo32 1 0.25000000 0.09297061 0.25000000 1.0 Mo Mo33 1 0.09304719 0.40688862 0.25000952 1.0 Se Se34 1 0.80580717 0.44645190 0.54932371 1.0 Se Se35 1 0.44615188 0.19854137 0.54945933 1.0 Se Se36 1 0.19820950 0.80566971 0.54946899 1.0 Se Se37 1 0.30580717 0.69841722 0.04932371 1.0 Se Se38 1 0.69820950 0.94665180 0.04946899 1.0 Se Se39 1 0.94615188 0.30584742 0.04945933 1.0 Se Se40 1 0.19419283 0.55354810 0.45067629 1.0 Se Se41 1 0.55384812 0.80145863 0.45054067 1.0 Se Se42 1 0.80179050 0.19433029 0.45053101 1.0 Se Se43 1 0.69419283 0.30158278 0.95067629 1.0 Se Se44 1 0.30179050 0.05334820 0.95053101 1.0 Se Se45 1 0.05384812 0.69415258 0.95054067 1.0 Se Se46 1 0.92151966 0.52791740 0.35691675 1.0 Se Se47 1 0.52794631 0.19368473 0.35695402 1.0 Se Se48 1 0.19364018 0.92138848 0.35692094 1.0 Se Se49 1 0.42151966 0.69364619 0.85691675 1.0 Se Se50 1 0.69364018 0.02805041 0.85692094 1.0 Se Se51 1 0.02794631 0.42141494 0.85695402 1.0 Se Se52 1 0.07848034 0.47208260 0.64308325 1.0 Se Se53 1 0.47205369 0.80631527 0.64304598 1.0 Se Se54 1 0.80635982 0.07861152 0.64307906 1.0 Se Se55 1 0.57848034 0.30635381 0.14308325 1.0 Se Se56 1 0.30635982 0.97194959 0.14307906 1.0 Se Se57 1 0.97205369 0.57858506 0.14304598 1.0 Se Se58 1 0.75000000 0.44661735 0.75000000 1.0 Se Se59 1 0.44663410 0.05343972 0.75000281 1.0 Se Se60 1 0.05336590 0.75007664 0.74999719 1.0 Se Se61 1 0.25000000 0.55338265 0.25000000 1.0 Se Se62 1 0.55336590 0.94656028 0.24999719 1.0 Se Se63 1 0.94663410 0.24992336 0.25000281 1.0 Se Se64 1 0.55377108 0.55382643 0.33928760 1.0 Se Se65 1 0.05377108 0.05311489 0.83928760 1.0 Se Se66 1 0.44622892 0.44617357 0.66071240 1.0 Se Se67 1 0.94622892 0.94688511 0.16071240 1.0 Se Se68 1 0.82351434 0.82334482 0.52961400 1.0 Se Se69 1 0.32351434 0.32352684 0.02961400 1.0 Se Se70 1 0.17648566 0.17665518 0.47038600 1.0 Se Se71 1 0.67648566 0.67647316 0.97038600 1.0