# generated using pymatgen data_Cs10(Mo2N5)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.18541532 _cell_length_b 12.18538167 _cell_length_c 12.18538195 _cell_angle_alpha 65.60051288 _cell_angle_beta 65.60094885 _cell_angle_gamma 65.60093277 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs10(Mo2N5)3 _chemical_formula_sum 'Cs20 Mo12 N30' _cell_volume 1435.03021094 _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 Cs Cs0 1 0.44338503 0.55721663 0.17542052 1.0 Cs Cs1 1 0.17543382 0.44337327 0.55724092 1.0 Cs Cs2 1 0.55719650 0.17543055 0.44342234 1.0 Cs Cs3 1 0.25000449 0.42331390 0.07666973 1.0 Cs Cs4 1 0.07668985 0.24999147 0.42332660 1.0 Cs Cs5 1 0.42329428 0.07670474 0.25000335 1.0 Cs Cs6 1 0.05663082 0.32456926 0.94275753 1.0 Cs Cs7 1 0.94279107 0.05661115 0.32457721 1.0 Cs Cs8 1 0.32456841 0.94279819 0.05657733 1.0 Cs Cs9 1 0.00004052 -0.00000217 -0.00003887 1.0 Cs Cs10 1 0.67542723 0.05723372 0.94336320 1.0 Cs Cs11 1 0.05722716 0.94339543 0.67543690 1.0 Cs Cs12 1 0.94341934 0.67542447 0.05719357 1.0 Cs Cs13 1 0.57666903 0.92332687 0.75000540 1.0 Cs Cs14 1 0.92331434 0.74999000 0.57670381 1.0 Cs Cs15 1 0.75000449 0.57669308 0.92329224 1.0 Cs Cs16 1 0.44275946 0.82457083 0.55663765 1.0 Cs Cs17 1 0.82457617 0.55658649 0.44280492 1.0 Cs Cs18 1 0.55659776 0.44278091 0.82456448 1.0 Cs Cs19 1 0.49996625 0.49999086 0.50004329 1.0 Mo Mo20 1 0.25449211 0.79433321 0.39959657 1.0 Mo Mo21 1 0.79432126 0.39958263 0.25449880 1.0 Mo Mo22 1 0.39958515 0.25449880 0.79432039 1.0 Mo Mo23 1 0.70568568 0.24551056 0.10039937 1.0 Mo Mo24 1 0.89959410 0.29431504 0.75449837 1.0 Mo Mo25 1 0.24549896 0.10041743 0.70567813 1.0 Mo Mo26 1 0.75448810 0.89960108 0.29432819 1.0 Mo Mo27 1 0.10041845 0.70566136 0.24550119 1.0 Mo Mo28 1 0.29433403 0.75450285 0.89956892 1.0 Mo Mo29 1 0.60041148 0.74550084 0.20566678 1.0 Mo Mo30 1 0.20567248 0.60041248 0.74550612 1.0 Mo Mo31 1 0.74550211 0.20568401 0.60041278 1.0 N N32 1 0.42903889 0.76460885 0.30543131 1.0 N N33 1 0.30542048 0.42904034 0.76461200 1.0 N N34 1 0.76460371 0.30543811 0.42904494 1.0 N N35 1 0.10794583 0.54581111 0.31009162 1.0 N N36 1 0.25000070 0.67109432 0.82890185 1.0 N N37 1 0.54583033 0.31008230 0.10793392 1.0 N N38 1 0.95417482 0.39205486 0.18991941 1.0 N N39 1 0.82890739 0.24998975 0.67110585 1.0 N N40 1 0.31008835 0.10794168 0.54583740 1.0 N N41 1 0.39205593 0.18991835 0.95416526 1.0 N N42 1 0.67109045 0.82890034 0.25000925 1.0 N N43 1 0.18990003 0.95418150 0.39206672 1.0 N N44 1 0.80544340 0.26460443 0.92903089 1.0 N N45 1 0.07096172 0.19457191 0.73538818 1.0 N N46 1 0.73539445 0.07097550 0.19455153 1.0 N N47 1 0.26461194 0.92905094 0.80541711 1.0 N N48 1 0.92904170 0.80542877 0.26460618 1.0 N N49 1 0.19458841 0.73539073 0.07093922 1.0 N N50 1 0.81007294 0.04582946 0.60795429 1.0 N N51 1 0.32889728 0.17109342 0.75000793 1.0 N N52 1 0.60793692 0.81009683 0.04581276 1.0 N N53 1 0.68991601 0.89205386 0.45418957 1.0 N N54 1 0.17109968 0.74999142 0.32891315 1.0 N N55 1 0.04583428 0.60793813 0.81008732 1.0 N N56 1 0.45417038 0.68991501 0.89205181 1.0 N N57 1 0.75000153 0.32889919 0.17109682 1.0 N N58 1 0.89206400 0.45416490 0.68991335 1.0 N N59 1 0.23538473 0.69457240 0.57097113 1.0 N N60 1 0.69456689 0.57094904 0.23539630 1.0 N N61 1 0.57095693 0.23539459 0.69457320 1.0