# generated using pymatgen data_Ba14Y7(Cu10O21)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.67125700 _cell_length_b 12.24440909 _cell_length_c 12.72789204 _cell_angle_alpha 95.47204517 _cell_angle_beta 105.79543591 _cell_angle_gamma 98.27346066 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba14Y7(Cu10O21)2 _chemical_formula_sum 'Ba14 Y7 Cu20 O42' _cell_volume 1273.90779325 _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 0.05231700 0.17836000 0.79913000 1.0 Ba Ba1 1 0.63495400 0.03978400 0.79922700 1.0 Ba Ba2 1 0.48626300 0.32737400 0.80542900 1.0 Ba Ba3 1 0.08418900 0.52797400 0.19582100 1.0 Ba Ba4 1 0.34628100 0.61678200 0.80540800 1.0 Ba Ba5 1 0.22677000 0.24242400 0.19573400 1.0 Ba Ba6 1 0.19277700 0.90281900 0.79911600 1.0 Ba Ba7 1 0.77596100 0.76417000 0.79920000 1.0 Ba Ba8 1 0.65499200 0.38490400 0.19514200 1.0 Ba Ba9 1 0.79858700 0.09958700 0.19701700 1.0 Ba Ba10 1 0.37021200 0.95684900 0.19725100 1.0 Ba Ba11 1 0.91692900 0.47210000 0.80558700 1.0 Ba Ba12 1 0.51239900 0.67102600 0.19677200 1.0 Ba Ba13 1 0.94203100 0.81378400 0.19719200 1.0 Y Y14 1 0.21509500 0.57124600 0.49918400 1.0 Y Y15 1 0.35571200 0.28559600 0.49917000 1.0 Y Y16 1 0.50992200 0.99812900 0.50404400 1.0 Y Y17 1 0.06502800 0.86046700 0.50396500 1.0 Y Y18 1 0.78508700 0.42824100 0.49864800 1.0 Y Y19 1 0.92637100 0.13623900 0.50443500 1.0 Y Y20 1 0.64890900 0.72213300 0.50445000 1.0 Cu Cu21 1 0.00233600 0.00076800 0.00540600 1.0 Cu Cu22 1 0.14277600 0.71427200 0.00008000 1.0 Cu Cu23 1 0.42919100 0.14279700 0.99999800 1.0 Cu Cu24 1 0.28495400 0.42799800 0.99941800 1.0 Cu Cu25 1 0.01298100 0.33682300 0.36483900 1.0 Cu Cu26 1 0.12995300 0.37670600 0.63655700 1.0 Cu Cu27 1 0.15715800 0.05164600 0.36453200 1.0 Cu Cu28 1 0.27352300 0.09134000 0.63152900 1.0 Cu Cu29 1 0.41090500 0.80322500 0.63164500 1.0 Cu Cu30 1 0.69988200 0.23592300 0.63286100 1.0 Cu Cu31 1 0.29853200 0.76696900 0.36526200 1.0 Cu Cu32 1 0.44289500 0.48183300 0.36520600 1.0 Cu Cu33 1 0.85728000 0.28580400 0.99995800 1.0 Cu Cu34 1 0.57056500 0.85706900 0.99966500 1.0 Cu Cu35 1 0.71440900 0.57185800 0.99928700 1.0 Cu Cu36 1 0.55879900 0.51948800 0.63726000 1.0 Cu Cu37 1 0.58484200 0.19471800 0.36424700 1.0 Cu Cu38 1 0.72608700 0.90860100 0.36074500 1.0 Cu Cu39 1 0.87027000 0.62367600 0.36446900 1.0 Cu Cu40 1 0.98512500 0.65927300 0.63202800 1.0 O O41 1 0.06310800 0.02101900 0.61708900 1.0 O O42 1 0.19546400 0.23331000 0.62110000 1.0 O O43 1 0.36550400 0.12174700 0.85158300 1.0 O O44 1 0.06652300 0.02223100 0.15478100 1.0 O O45 1 0.07936100 0.69296600 0.85163800 1.0 O O46 1 0.05086800 0.51673400 0.61950500 1.0 O O47 1 0.09252600 0.19686700 0.38086600 1.0 O O48 1 0.22101400 0.40670900 0.85048300 1.0 O O49 1 0.09136800 0.69685400 0.38142200 1.0 O O50 1 0.33657300 0.44548700 0.61939500 1.0 O O51 1 0.19476900 0.72993200 0.62047200 1.0 O O52 1 0.48011600 0.16172500 0.62112500 1.0 O O53 1 0.23438200 0.41145200 0.37996800 1.0 O O54 1 0.37894300 0.12660100 0.38184800 1.0 O O55 1 0.33786400 0.94575400 0.62182700 1.0 O O56 1 0.62280700 0.37462400 0.61879900 1.0 O O57 1 0.49262200 0.16435400 0.14961300 1.0 O O58 1 0.76045200 0.09743100 0.61720200 1.0 O O59 1 0.47951500 0.65817500 0.62055800 1.0 O O60 1 0.65041200 0.55045500 0.85048800 1.0 O O61 1 0.51965800 0.34013700 0.37907400 1.0 O O62 1 0.50675700 0.83585200 0.85125600 1.0 O O63 1 0.37616600 0.62629500 0.37996400 1.0 O O64 1 0.66258500 0.05347800 0.37804300 1.0 O O65 1 0.23519800 0.91172100 0.38182800 1.0 O O66 1 0.20648200 0.73568000 0.14926700 1.0 O O67 1 0.79355400 0.26469700 0.85124600 1.0 O O68 1 0.34932800 0.44969600 0.14866200 1.0 O O69 1 0.51964600 0.83999100 0.37817500 1.0 O O70 1 0.60856500 0.86954000 0.61702500 1.0 O O71 1 0.90877900 0.30374900 0.62012500 1.0 O O72 1 0.80504200 0.26869200 0.38031000 1.0 O O73 1 0.76637800 0.58787900 0.62108800 1.0 O O74 1 0.66372200 0.55439000 0.38052700 1.0 O O75 1 0.63548800 0.87843200 0.14911800 1.0 O O76 1 0.91130300 0.79330900 0.61699900 1.0 O O77 1 0.93921400 0.97984300 0.85846300 1.0 O O78 1 0.77833800 0.59260300 0.14846000 1.0 O O79 1 0.92133900 0.30704700 0.14963500 1.0 O O80 1 0.94847800 0.48263700 0.37977400 1.0 O O81 1 0.80436500 0.76858400 0.37804700 1.0 O O82 1 0.94736300 0.98227600 0.37834200 1.0