# generated using pymatgen data_Cs3(Cr5Se8)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.97601551 _cell_length_b 11.64246029 _cell_length_c 11.78033498 _cell_angle_alpha 111.44316332 _cell_angle_beta 81.67735029 _cell_angle_gamma 117.31338879 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs3(Cr5Se8)4 _chemical_formula_sum 'Cs3 Cr20 Se32' _cell_volume 1244.48246099 _cell_formula_units_Z 1 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 Cs Cs0 1 0.72805120 0.22802940 0.22782945 1.0 Cs Cs1 1 -0.00000000 0.50000000 0.50000000 1.0 Cs Cs2 1 0.27194880 0.77197060 0.77217055 1.0 Cr Cr3 1 0.54209316 0.36173542 0.87823116 1.0 Cr Cr4 1 0.79115048 0.60894518 0.12735417 1.0 Cr Cr5 1 0.04215641 0.85909505 0.37856786 1.0 Cr Cr6 1 0.29284767 0.11106332 0.62950545 1.0 Cr Cr7 1 0.70715233 0.88893668 0.37049455 1.0 Cr Cr8 1 0.95784359 0.14090495 0.62143214 1.0 Cr Cr9 1 0.20884952 0.39105482 0.87264583 1.0 Cr Cr10 1 0.45790684 0.63826458 0.12176884 1.0 Cr Cr11 1 0.16163650 0.07140933 0.23587869 1.0 Cr Cr12 1 0.41123953 0.32127061 0.48526841 1.0 Cr Cr13 1 0.66292328 0.57157273 0.73529367 1.0 Cr Cr14 1 0.91292994 0.82227899 0.98594714 1.0 Cr Cr15 1 0.08707006 0.17772101 0.01405286 1.0 Cr Cr16 1 0.33707672 0.42842727 0.26470633 1.0 Cr Cr17 1 0.58876047 0.67872939 0.51473159 1.0 Cr Cr18 1 0.83836350 0.92859067 0.76412131 1.0 Cr Cr19 1 0.12526821 0.62525638 0.12498385 1.0 Cr Cr20 1 0.37503994 0.87495426 0.37460441 1.0 Cr Cr21 1 0.62496006 0.12504574 0.62539559 1.0 Cr Cr22 1 0.87473179 0.37474362 0.87501615 1.0 Se Se23 1 0.34429407 0.36648215 0.02434613 1.0 Se Se24 1 0.59453855 0.61620774 0.27452394 1.0 Se Se25 1 0.84472557 0.86751122 0.52451949 1.0 Se Se26 1 0.09466306 0.11762003 0.77450871 1.0 Se Se27 1 0.90533694 0.88237997 0.22549129 1.0 Se Se28 1 0.15527443 0.13248878 0.47548051 1.0 Se Se29 1 0.40546145 0.38379226 0.72547606 1.0 Se Se30 1 0.65570593 0.63351785 0.97565387 1.0 Se Se31 1 0.01686352 0.36692018 0.02033401 1.0 Se Se32 1 0.26648451 0.61664933 0.27080842 1.0 Se Se33 1 0.51726985 0.86691609 0.52041437 1.0 Se Se34 1 0.76735404 0.11691294 0.77020980 1.0 Se Se35 1 0.23264596 0.88308706 0.22979020 1.0 Se Se36 1 0.48273015 0.13308391 0.47958563 1.0 Se Se37 1 0.73351549 0.38335067 0.72919158 1.0 Se Se38 1 0.98313648 0.63307982 0.97966599 1.0 Se Se39 1 0.09332708 0.25029338 0.24122556 1.0 Se Se40 1 0.34478549 0.50152013 0.49208938 1.0 Se Se41 1 0.59634353 0.75068290 0.74153644 1.0 Se Se42 1 0.84429177 0.99939181 0.99020507 1.0 Se Se43 1 0.15570823 0.00060819 0.00979493 1.0 Se Se44 1 0.40365647 0.24931710 0.25846356 1.0 Se Se45 1 0.65521451 0.49847987 0.50791062 1.0 Se Se46 1 0.90667292 0.74970662 0.75877444 1.0 Se Se47 1 0.81777920 0.14134383 0.47414225 1.0 Se Se48 1 0.07007750 0.39361387 0.72636037 1.0 Se Se49 1 0.32054960 0.64263193 0.97768278 1.0 Se Se50 1 0.56705704 0.88860984 0.22382566 1.0 Se Se51 1 0.43294296 0.11139016 0.77617434 1.0 Se Se52 1 0.67945040 0.35736807 0.02231722 1.0 Se Se53 1 0.92992250 0.60638613 0.27363963 1.0 Se Se54 1 0.18222080 0.85865617 0.52585775 1.0