# generated using pymatgen data_Cd9(InSe2)20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.62817700 _cell_length_b 13.57287137 _cell_length_c 14.08600410 _cell_angle_alpha 62.16757503 _cell_angle_beta 64.88915113 _cell_angle_gamma 71.66470334 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd9(InSe2)20 _chemical_formula_sum 'Cd9 In20 Se40' _cell_volume 1912.71272508 _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 Cd Cd0 1 0.29250700 0.90806900 0.48454800 1.0 Cd Cd1 1 0.49135900 0.70513700 0.08100100 1.0 Cd Cd2 1 0.69659200 0.50442200 0.68331700 1.0 Cd Cd3 1 0.84178900 0.84517900 0.14932600 1.0 Cd Cd4 1 0.88950700 0.30433300 0.27890300 1.0 Cd Cd5 1 0.04199500 0.64845500 0.74771400 1.0 Cd Cd6 1 0.24224800 0.44615300 0.34892400 1.0 Cd Cd7 1 0.44260200 0.24475100 0.94964400 1.0 Cd Cd8 1 0.64048600 0.04742500 0.54828300 1.0 In In9 1 0.09613700 0.89676900 0.79518700 1.0 In In10 1 0.28150200 0.68674800 0.38745300 1.0 In In11 1 0.53758400 0.94638100 0.13911300 1.0 In In12 1 0.48133800 0.48695000 0.98946300 1.0 In In13 1 0.73545700 0.74654300 0.74209500 1.0 In In14 1 0.96811300 0.99890300 0.49314400 1.0 In In15 1 0.62826900 0.84895700 0.44148800 1.0 In In16 1 0.68247200 0.28736000 0.58818100 1.0 In In17 1 0.93411200 0.54179600 0.34029600 1.0 In In18 1 0.17230700 0.80432400 0.08941300 1.0 In In19 1 0.83256900 0.64711400 0.04227100 1.0 In In20 1 0.88776800 0.08569400 0.18442300 1.0 In In21 1 0.13794000 0.33671600 0.93230900 1.0 In In22 1 0.37160600 0.60006700 0.69315700 1.0 In In23 1 0.03559800 0.43939300 0.63791100 1.0 In In24 1 0.32414000 0.15037400 0.54176200 1.0 In In25 1 0.56834000 0.39769400 0.29168800 1.0 In In26 1 0.23122700 0.24856400 0.24020900 1.0 In In27 1 0.78981200 0.20164300 0.89711100 1.0 In In28 1 0.42419600 0.05309500 0.83967700 1.0 Se Se29 1 0.67044200 0.00004600 0.22816100 1.0 Se Se30 1 0.32969400 0.83909100 0.17678100 1.0 Se Se31 1 0.89297300 0.98498700 0.92387200 1.0 Se Se32 1 0.24846400 0.92329700 0.87059500 1.0 Se Se33 1 0.52566100 0.84039700 0.85784200 1.0 Se Se34 1 0.87020600 0.79687600 0.82888800 1.0 Se Se35 1 0.53178600 0.63886500 0.77819800 1.0 Se Se36 1 0.45463400 0.94039000 0.58589100 1.0 Se Se37 1 0.80144200 0.86702900 0.51802600 1.0 Se Se38 1 0.11385400 0.79621100 0.52289500 1.0 Se Se39 1 0.44516800 0.72569100 0.47283700 1.0 Se Se40 1 0.73279200 0.63654100 0.46012100 1.0 Se Se41 1 0.07136900 0.59765700 0.42837300 1.0 Se Se42 1 0.98417400 0.86927400 0.24048600 1.0 Se Se43 1 0.73338000 0.43910900 0.37631500 1.0 Se Se44 1 0.65769000 0.73579600 0.18866500 1.0 Se Se45 1 0.00261100 0.66157000 0.11711700 1.0 Se Se46 1 0.30976500 0.59352000 0.12414400 1.0 Se Se47 1 0.64660300 0.52458900 0.07236600 1.0 Se Se48 1 0.93712700 0.43272700 0.05344400 1.0 Se Se49 1 0.27103900 0.39590700 0.02579300 1.0 Se Se50 1 0.18327800 0.67578900 0.83794100 1.0 Se Se51 1 0.92805200 0.24385500 0.97855200 1.0 Se Se52 1 0.86243700 0.53653700 0.78098400 1.0 Se Se53 1 0.20378000 0.46967400 0.71398500 1.0 Se Se54 1 0.51384000 0.39510900 0.72394900 1.0 Se Se55 1 0.84856400 0.32109100 0.67434300 1.0 Se Se56 1 0.13836600 0.22457100 0.68847500 1.0 Se Se57 1 0.47206200 0.20054200 0.62565700 1.0 Se Se58 1 0.38670000 0.47272800 0.44020600 1.0 Se Se59 1 0.12694600 0.04129100 0.58088000 1.0 Se Se60 1 0.06030300 0.33338700 0.38973300 1.0 Se Se61 1 0.40293000 0.26498100 0.31769800 1.0 Se Se62 1 0.71050400 0.19336100 0.32249800 1.0 Se Se63 1 0.04424600 0.12299500 0.27280200 1.0 Se Se64 1 0.33184300 0.03600600 0.26038800 1.0 Se Se65 1 0.58662600 0.27318400 0.03761000 1.0 Se Se66 1 0.25811800 0.13111400 0.99243800 1.0 Se Se67 1 0.60140900 0.06723000 0.91710600 1.0 Se Se68 1 0.78444900 0.07287400 0.64103100 1.0