# generated using pymatgen data_Ba10Sm5(Cu5O11)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55319700 _cell_length_b 13.17299729 _cell_length_c 14.09945506 _cell_angle_alpha 114.40700937 _cell_angle_beta 100.18799599 _cell_angle_gamma 90.49534314 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba10Sm5(Cu5O11)3 _chemical_formula_sum 'Ba10 Sm5 Cu15 O33' _cell_volume 920.57216580 _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 Ba Ba0 1 0.14511700 0.18899100 0.27207000 1.0 Ba Ba1 1 0.34318800 0.18987500 0.67334200 1.0 Ba Ba2 1 0.53640700 0.18205000 0.07281600 1.0 Ba Ba3 1 0.73277900 0.18958100 0.47848200 1.0 Ba Ba4 1 0.93038200 0.18907500 0.87909700 1.0 Ba Ba5 1 0.26722100 0.81041900 0.52151800 1.0 Ba Ba6 1 0.46359300 0.81795000 0.92718400 1.0 Ba Ba7 1 0.65681200 0.81012500 0.32665800 1.0 Ba Ba8 1 0.85488300 0.81100900 0.72793000 1.0 Ba Ba9 1 0.06961800 0.81092500 0.12090300 1.0 Sm Sm10 1 0.19971200 0.49984000 0.39995900 1.0 Sm Sm11 1 0.80028800 0.50016000 0.60004100 1.0 Sm Sm12 1 0.40036200 0.50146300 0.80074500 1.0 Sm Sm13 1 0.00000000 0.50000000 0.00000000 1.0 Sm Sm14 1 0.59963800 0.49853700 0.19925500 1.0 Cu Cu15 1 0.07063200 0.35362200 0.14145100 1.0 Cu Cu16 1 0.67286700 0.35558500 0.34238000 1.0 Cu Cu17 1 0.26972300 0.35618500 0.54193100 1.0 Cu Cu18 1 0.87291100 0.35609500 0.74310300 1.0 Cu Cu19 1 0.46926500 0.35546500 0.94185900 1.0 Cu Cu20 1 0.12708900 0.64390500 0.25689700 1.0 Cu Cu21 1 0.73027700 0.64381500 0.45806900 1.0 Cu Cu22 1 0.32713300 0.64441500 0.65762000 1.0 Cu Cu23 1 0.92936800 0.64637800 0.85854900 1.0 Cu Cu24 1 0.53073500 0.64453500 0.05814100 1.0 Cu Cu25 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu26 1 0.57854900 0.00002600 0.19389400 1.0 Cu Cu27 1 0.21266000 0.00002900 0.40453600 1.0 Cu Cu28 1 0.78734000 0.99997100 0.59546400 1.0 Cu Cu29 1 0.42145100 0.99997400 0.80610600 1.0 O O30 1 0.37614000 0.37382400 0.25023700 1.0 O O31 1 0.97533500 0.37503800 0.45012400 1.0 O O32 1 0.57430300 0.37257700 0.64900200 1.0 O O33 1 0.17555200 0.37534800 0.85001900 1.0 O O34 1 0.77282400 0.37341400 0.04866600 1.0 O O35 1 0.42569700 0.62742300 0.35099800 1.0 O O36 1 0.02466500 0.62496200 0.54987600 1.0 O O37 1 0.62386000 0.62617600 0.74976300 1.0 O O38 1 0.22717600 0.62658600 0.95133400 1.0 O O39 1 0.82444800 0.62465200 0.14998100 1.0 O O40 1 0.87545100 0.37625800 0.25046800 1.0 O O41 1 0.47557600 0.37569700 0.45038100 1.0 O O42 1 0.07537800 0.37567300 0.65012500 1.0 O O43 1 0.67460500 0.37564000 0.85031300 1.0 O O44 1 0.27500800 0.37624900 0.05043100 1.0 O O45 1 0.92462200 0.62432700 0.34987500 1.0 O O46 1 0.52442400 0.62430300 0.54961900 1.0 O O47 1 0.12454900 0.62374200 0.74953200 1.0 O O48 1 0.72499200 0.62375100 0.94956900 1.0 O O49 1 0.32539500 0.62436000 0.14968700 1.0 O O50 1 0.03173800 0.15834700 0.06335500 1.0 O O51 1 0.65165200 0.15167100 0.26743400 1.0 O O52 1 0.20698700 0.15181300 0.45347500 1.0 O O53 1 0.85362100 0.15179200 0.66793200 1.0 O O54 1 0.40880800 0.15158700 0.85385000 1.0 O O55 1 0.14637900 0.84820800 0.33206800 1.0 O O56 1 0.79301300 0.84818700 0.54652500 1.0 O O57 1 0.34834800 0.84832900 0.73256600 1.0 O O58 1 0.96826200 0.84165300 0.93664500 1.0 O O59 1 0.59119200 0.84841300 0.14615000 1.0 O O60 1 0.28848400 0.99996300 0.09859600 1.0 O O61 1 0.50000000 0.00000000 0.50000000 1.0 O O62 1 0.71151600 0.00003700 0.90140400 1.0