# generated using pymatgen data_Ca3Cu5Si9O26 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.19479992 _cell_length_b 7.19479992 _cell_length_c 20.20672971 _cell_angle_alpha 88.95710896 _cell_angle_beta 91.04289104 _cell_angle_gamma 90.79726489 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3Cu5Si9O26 _chemical_formula_sum 'Ca6 Cu10 Si18 O52' _cell_volume 1045.56126658 _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 Ca Ca0 1 0.27380400 0.27380400 0.75000000 1.0 Ca Ca1 1 0.72619600 0.72619600 0.25000000 1.0 Ca Ca2 1 0.71102000 0.76241500 0.92984900 1.0 Ca Ca3 1 0.76241500 0.71102000 0.57015100 1.0 Ca Ca4 1 0.28898000 0.23758500 0.07015100 1.0 Ca Ca5 1 0.23758500 0.28898000 0.42984900 1.0 Cu Cu6 1 0.00000000 0.50000000 0.00000000 1.0 Cu Cu7 1 0.50000000 0.00000000 0.50000000 1.0 Cu Cu8 1 0.97392900 0.51047800 0.83954800 1.0 Cu Cu9 1 0.51047800 0.97392900 0.66045200 1.0 Cu Cu10 1 0.02607100 0.48952200 0.16045200 1.0 Cu Cu11 1 0.48952200 0.02607100 0.33954800 1.0 Cu Cu12 1 0.96097600 0.01769100 0.82862900 1.0 Cu Cu13 1 0.01769100 0.96097600 0.67137100 1.0 Cu Cu14 1 0.03902400 0.98230900 0.17137100 1.0 Cu Cu15 1 0.98230900 0.03902400 0.32862900 1.0 Si Si16 1 0.24328100 0.24777000 0.91147600 1.0 Si Si17 1 0.24777000 0.24328100 0.58852400 1.0 Si Si18 1 0.75671900 0.75223000 0.08852400 1.0 Si Si19 1 0.75223000 0.75671900 0.41147600 1.0 Si Si20 1 0.65465000 0.25609900 0.90690300 1.0 Si Si21 1 0.25609900 0.65465000 0.59309700 1.0 Si Si22 1 0.34535000 0.74390100 0.09309700 1.0 Si Si23 1 0.74390100 0.34535000 0.40690300 1.0 Si Si24 1 0.69313900 0.23723300 0.19570200 1.0 Si Si25 1 0.23723300 0.69313900 0.30429800 1.0 Si Si26 1 0.30686100 0.76276700 0.80429800 1.0 Si Si27 1 0.76276700 0.30686100 0.69570200 1.0 Si Si28 1 0.28019900 0.28019900 0.25000000 1.0 Si Si29 1 0.71980100 0.71980100 0.75000000 1.0 Si Si30 1 0.75031200 0.18054800 0.05127900 1.0 Si Si31 1 0.18054800 0.75031200 0.44872100 1.0 Si Si32 1 0.24968800 0.81945200 0.94872100 1.0 Si Si33 1 0.81945200 0.24968800 0.55127900 1.0 O O34 1 0.44268200 0.26423700 0.87166300 1.0 O O35 1 0.26423700 0.44268200 0.62833700 1.0 O O36 1 0.55731800 0.73576300 0.12833700 1.0 O O37 1 0.73576300 0.55731800 0.37166300 1.0 O O38 1 0.08291100 0.25743000 0.85221200 1.0 O O39 1 0.25743000 0.08291100 0.64778800 1.0 O O40 1 0.91708900 0.74257000 0.14778800 1.0 O O41 1 0.74257000 0.91708900 0.35221200 1.0 O O42 1 0.15209700 0.23507500 0.18394100 1.0 O O43 1 0.23507500 0.15209700 0.31605900 1.0 O O44 1 0.84790300 0.76492500 0.81605900 1.0 O O45 1 0.76492500 0.84790300 0.68394100 1.0 O O46 1 0.22966100 0.40121100 0.96803300 1.0 O O47 1 0.40121100 0.22966100 0.53196700 1.0 O O48 1 0.77033900 0.59878900 0.03196700 1.0 O O49 1 0.59878900 0.77033900 0.46803300 1.0 O O50 1 0.80556400 0.43007800 0.20938900 1.0 O O51 1 0.43007800 0.80556400 0.29061100 1.0 O O52 1 0.19443600 0.56992200 0.79061100 1.0 O O53 1 0.56992200 0.19443600 0.70938900 1.0 O O54 1 0.76345600 0.45234500 0.89458300 1.0 O O55 1 0.45234500 0.76345600 0.60541700 1.0 O O56 1 0.23654400 0.54765500 0.10541700 1.0 O O57 1 0.54765500 0.23654400 0.39458300 1.0 O O58 1 0.80614200 0.04931000 0.21550000 1.0 O O59 1 0.04931000 0.80614200 0.28450000 1.0 O O60 1 0.19385800 0.95069000 0.78450000 1.0 O O61 1 0.95069000 0.19385800 0.71550000 1.0 O O62 1 0.61180900 0.23460100 0.98816500 1.0 O O63 1 0.23460100 0.61180900 0.51183500 1.0 O O64 1 0.38819100 0.76539900 0.01183500 1.0 O O65 1 0.76539900 0.38819100 0.48816500 1.0 O O66 1 0.61960600 0.22764600 0.11596900 1.0 O O67 1 0.22764600 0.61960600 0.38403100 1.0 O O68 1 0.38039400 0.77235400 0.88403100 1.0 O O69 1 0.77235400 0.38039400 0.61596900 1.0 O O70 1 0.50112200 0.24444900 0.23811600 1.0 O O71 1 0.24444900 0.50112200 0.26188400 1.0 O O72 1 0.49887800 0.75555100 0.76188400 1.0 O O73 1 0.75555100 0.49887800 0.73811600 1.0 O O74 1 0.95631200 0.27087100 0.05420100 1.0 O O75 1 0.27087100 0.95631200 0.44579900 1.0 O O76 1 0.04368800 0.72912900 0.94579900 1.0 O O77 1 0.72912900 0.04368800 0.55420100 1.0 O O78 1 0.23376500 0.04737100 0.95213300 1.0 O O79 1 0.04737100 0.23376500 0.54786700 1.0 O O80 1 0.76623500 0.95262900 0.04786700 1.0 O O81 1 0.95262900 0.76623500 0.45213300 1.0 O O82 1 0.06639100 0.75331700 0.61496800 1.0 O O83 1 0.75331700 0.06639100 0.88503200 1.0 O O84 1 0.93360900 0.24668300 0.38503200 1.0 O O85 1 0.24668300 0.93360900 0.11496800 1.0