# generated using pymatgen data_AlCu2Sb(HO)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.20949600 _cell_length_b 9.24872317 _cell_length_c 9.74351477 _cell_angle_alpha 90.10192851 _cell_angle_beta 90.14351723 _cell_angle_gamma 119.05220147 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCu2Sb(HO)12 _chemical_formula_sum 'Al3 Cu6 Sb3 H36 O36' _cell_volume 725.48606305 _cell_formula_units_Z 3 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 Al Al0 1 0.99952400 0.00263700 0.50266000 1.0 Al Al1 1 0.33237300 0.66460000 0.49359100 1.0 Al Al2 1 0.66617100 0.32942100 0.50913900 1.0 Cu Cu3 1 0.01322200 0.67196600 0.50718200 1.0 Cu Cu4 1 0.65937400 0.98655000 0.49447300 1.0 Cu Cu5 1 0.67174100 0.65728900 0.50398900 1.0 Cu Cu6 1 0.32605300 0.33990200 0.50401200 1.0 Cu Cu7 1 0.34027500 0.01377500 0.49636200 1.0 Cu Cu8 1 0.98646600 0.32706300 0.49853800 1.0 Sb Sb9 1 0.00407700 0.99767900 0.00315500 1.0 Sb Sb10 1 0.32125900 0.66105000 0.98629700 1.0 Sb Sb11 1 0.66762100 0.35284200 0.01187300 1.0 H H12 1 0.14369400 0.96171900 0.29625500 1.0 H H13 1 0.09584500 0.80402100 0.88627400 1.0 H H14 1 0.43488900 0.94447300 0.84882400 1.0 H H15 1 0.15987700 0.76428500 0.11686800 1.0 H H16 1 0.24689600 0.78327600 0.70114800 1.0 H H17 1 0.46140900 0.85430400 0.28756500 1.0 H H18 1 0.72788000 0.93230400 0.89186900 1.0 H H19 1 0.13101400 0.60032500 0.29562100 1.0 H H20 1 0.59483200 0.82843100 0.10956200 1.0 H H21 1 0.79518600 0.86494300 0.29965400 1.0 H H22 1 0.53025800 0.73738400 0.69952200 1.0 H H23 1 0.05163800 0.42688400 0.88548800 1.0 H H24 1 0.20743700 0.46000600 0.70010800 1.0 H H25 1 0.95142000 0.81147100 0.70679400 1.0 H H26 1 0.56446600 0.62423800 0.88973400 1.0 H H27 1 0.38835400 0.52701600 0.29280700 1.0 H H28 1 0.80756100 0.72666800 0.11975500 1.0 H H29 1 0.21818900 0.39160300 0.11141500 1.0 H H30 1 0.79774300 0.63360700 0.89371600 1.0 H H31 1 0.18462400 0.27399900 0.88635400 1.0 H H32 1 0.60727400 0.46736500 0.71218400 1.0 H H33 1 0.43950900 0.39675900 0.11945900 1.0 H H34 1 0.05008400 0.19386000 0.29490900 1.0 H H35 1 0.79190700 0.53836500 0.30895700 1.0 H H36 1 0.94525000 0.56098300 0.12216300 1.0 H H37 1 0.46674800 0.26592200 0.30386000 1.0 H H38 1 0.19756800 0.13814900 0.70602800 1.0 H H39 1 0.37606200 0.18345300 0.89834300 1.0 H H40 1 0.85930200 0.38937100 0.71234300 1.0 H H41 1 0.15309300 0.98899000 0.10962200 1.0 H H42 1 0.55196900 0.07850100 0.70231600 1.0 H H43 1 0.74700200 0.21901600 0.29435300 1.0 H H44 1 0.81432700 0.22793100 0.88781500 1.0 H H45 1 0.60716900 0.06626400 0.10352400 1.0 H H46 1 0.91322600 0.19185800 0.11099300 1.0 H H47 1 0.85850000 0.05818300 0.70491100 1.0 O O48 1 0.12660600 0.93124400 0.39309900 1.0 O O49 1 0.49296700 0.83919500 0.11409500 1.0 O O50 1 0.24260500 0.78148200 0.59701800 1.0 O O51 1 0.44739600 0.86287900 0.38848600 1.0 O O52 1 0.26656400 0.80093200 0.87413300 1.0 O O53 1 0.14690500 0.65307200 0.12457700 1.0 O O54 1 0.12697200 0.57785100 0.39592400 1.0 O O55 1 0.79117600 0.87580000 0.40155900 1.0 O O56 1 0.53556200 0.74863700 0.59692400 1.0 O O57 1 0.51369800 0.69702500 0.86919600 1.0 O O58 1 0.81088400 0.83564800 0.12353800 1.0 O O59 1 0.17074400 0.45578900 0.87360800 1.0 O O60 1 0.21674000 0.45983900 0.59756000 1.0 O O61 1 0.93179600 0.80541900 0.60566800 1.0 O O62 1 0.41515600 0.54483500 0.39236800 1.0 O O63 1 0.98780000 0.81153100 0.88349600 1.0 O O64 1 0.32926100 0.49221700 0.11645700 1.0 O O65 1 0.68174400 0.53805800 0.89265800 1.0 O O66 1 0.01751300 0.18658800 0.12226900 1.0 O O67 1 0.58173400 0.44750900 0.61276500 1.0 O O68 1 0.07027800 0.19902200 0.39605400 1.0 O O69 1 0.78303200 0.54099900 0.41147500 1.0 O O70 1 0.82604200 0.53006100 0.13919400 1.0 O O71 1 0.18570000 0.16610700 0.88203900 1.0 O O72 1 0.48811100 0.32284300 0.14035000 1.0 O O73 1 0.46078900 0.24712000 0.40615800 1.0 O O74 1 0.20058600 0.12792600 0.60437200 1.0 O O75 1 0.86517000 0.41041800 0.61183100 1.0 O O76 1 0.84259700 0.34598900 0.88851500 1.0 O O77 1 0.49435900 0.21873800 0.87196900 1.0 O O78 1 0.55335100 0.11298500 0.59046700 1.0 O O79 1 0.76299000 0.22729800 0.39608900 1.0 O O80 1 0.69368800 0.18239900 0.12307900 1.0 O O81 1 0.55665000 0.03226800 0.82642500 1.0 O O82 1 0.87050700 0.07696000 0.60372600 1.0 O O83 1 0.84296900 0.02251400 0.88027700 1.0