# generated using pymatgen data_CuSiH12(OF)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.05998218 _cell_length_b 11.05998218 _cell_length_c 11.05998215 _cell_angle_alpha 111.41839530 _cell_angle_beta 111.41839530 _cell_angle_gamma 111.41839882 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuSiH12(OF)6 _chemical_formula_sum 'Cu4 Si4 H48 O24 F24' _cell_volume 959.07132023 _cell_formula_units_Z 4 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 Cu Cu0 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu1 1 0.00000000 0.50000000 0.50000000 1.0 Cu Cu2 1 0.50000000 0.50000000 0.00000000 1.0 Cu Cu3 1 0.50000000 0.00000000 0.50000000 1.0 Si Si4 1 0.50000000 0.50000000 0.50000000 1.0 Si Si5 1 0.50000000 0.00000000 0.00000000 1.0 Si Si6 1 0.00000000 0.00000000 0.50000000 1.0 Si Si7 1 0.00000000 0.50000000 0.00000000 1.0 H H8 1 0.13415700 0.30903500 0.20776400 1.0 H H9 1 0.30903500 0.20776400 0.13415700 1.0 H H10 1 0.20776400 0.13415700 0.30903500 1.0 H H11 1 0.86584300 0.69096500 0.79223600 1.0 H H12 1 0.69096500 0.79223600 0.86584300 1.0 H H13 1 0.79223600 0.86584300 0.69096500 1.0 H H14 1 0.99506400 0.24853200 0.04103000 1.0 H H15 1 0.24853200 0.04103000 0.99506400 1.0 H H16 1 0.04103000 0.99506400 0.24853200 1.0 H H17 1 0.00493600 0.75146800 0.95897000 1.0 H H18 1 0.75146800 0.95897000 0.00493600 1.0 H H19 1 0.95897000 0.00493600 0.75146800 1.0 H H20 1 0.11593000 0.77221300 0.72808600 1.0 H H21 1 0.77221300 0.72808600 0.11593000 1.0 H H22 1 0.72808600 0.11593000 0.77221300 1.0 H H23 1 0.88407000 0.22778700 0.27191400 1.0 H H24 1 0.22778700 0.27191400 0.88407000 1.0 H H25 1 0.27191400 0.88407000 0.22778700 1.0 H H26 1 0.01719400 0.75647300 0.56948800 1.0 H H27 1 0.75647300 0.56948800 0.01719400 1.0 H H28 1 0.56948800 0.01719400 0.75647300 1.0 H H29 1 0.98280600 0.24352700 0.43051200 1.0 H H30 1 0.24352700 0.43051200 0.98280600 1.0 H H31 1 0.43051200 0.98280600 0.24352700 1.0 H H32 1 0.04761300 0.49319000 0.74427600 1.0 H H33 1 0.49319000 0.74427600 0.04761300 1.0 H H34 1 0.74427600 0.04761300 0.49319000 1.0 H H35 1 0.95238700 0.50681000 0.25572400 1.0 H H36 1 0.50681000 0.25572400 0.95238700 1.0 H H37 1 0.25572400 0.95238700 0.50681000 1.0 H H38 1 0.18263200 0.48955300 0.72285300 1.0 H H39 1 0.48955300 0.72285300 0.18263200 1.0 H H40 1 0.72285300 0.18263200 0.48955300 1.0 H H41 1 0.81736800 0.51044700 0.27714700 1.0 H H42 1 0.51044700 0.27714700 0.81736800 1.0 H H43 1 0.27714700 0.81736800 0.51044700 1.0 H H44 1 0.32611500 0.72052900 0.66516200 1.0 H H45 1 0.72052900 0.66516200 0.32611500 1.0 H H46 1 0.66516200 0.32611500 0.72052900 1.0 H H47 1 0.67388500 0.27947100 0.33483800 1.0 H H48 1 0.27947100 0.33483800 0.67388500 1.0 H H49 1 0.33483800 0.67388500 0.27947100 1.0 H H50 1 0.27926700 0.60070200 0.49788300 1.0 H H51 1 0.60070200 0.49788300 0.27926700 1.0 H H52 1 0.49788300 0.27926700 0.60070200 1.0 H H53 1 0.72073300 0.39929800 0.50211700 1.0 H H54 1 0.39929800 0.50211700 0.72073300 1.0 H H55 1 0.50211700 0.72073300 0.39929800 1.0 O O56 1 0.02881500 0.21598800 0.11199000 1.0 O O57 1 0.21598800 0.11199000 0.02881500 1.0 O O58 1 0.11199000 0.02881500 0.21598800 1.0 O O59 1 0.97118500 0.78401200 0.88801000 1.0 O O60 1 0.78401200 0.88801000 0.97118500 1.0 O O61 1 0.88801000 0.97118500 0.78401200 1.0 O O62 1 0.01761600 0.69767200 0.61944900 1.0 O O63 1 0.69767200 0.61944900 0.01761600 1.0 O O64 1 0.61944900 0.01761600 0.69767200 1.0 O O65 1 0.98238400 0.30232800 0.38055100 1.0 O O66 1 0.30232800 0.38055100 0.98238400 1.0 O O67 1 0.38055100 0.98238400 0.30232800 1.0 O O68 1 0.11371900 0.52878000 0.70838400 1.0 O O69 1 0.52878000 0.70838400 0.11371900 1.0 O O70 1 0.70838400 0.11371900 0.52878000 1.0 O O71 1 0.88628100 0.47122000 0.29161600 1.0 O O72 1 0.47122000 0.29161600 0.88628100 1.0 O O73 1 0.29161600 0.88628100 0.47122000 1.0 O O74 1 0.25613800 0.67296400 0.55158800 1.0 O O75 1 0.67296400 0.55158800 0.25613800 1.0 O O76 1 0.55158800 0.25613800 0.67296400 1.0 O O77 1 0.74386200 0.32703600 0.44841200 1.0 O O78 1 0.32703600 0.44841200 0.74386200 1.0 O O79 1 0.44841200 0.74386200 0.32703600 1.0 F F80 1 0.32789300 0.48107400 0.39214900 1.0 F F81 1 0.48107400 0.39214900 0.32789300 1.0 F F82 1 0.39214900 0.32789300 0.48107400 1.0 F F83 1 0.67210700 0.51892600 0.60785100 1.0 F F84 1 0.51892600 0.60785100 0.67210700 1.0 F F85 1 0.60785100 0.67210700 0.51892600 1.0 F F86 1 0.07930400 0.69927600 0.08153300 1.0 F F87 1 0.69927600 0.08153300 0.07930400 1.0 F F88 1 0.08153300 0.07930400 0.69927600 1.0 F F89 1 0.92069600 0.30072400 0.91846700 1.0 F F90 1 0.30072400 0.91846700 0.92069600 1.0 F F91 1 0.91846700 0.92069600 0.30072400 1.0 F F92 1 0.10116400 0.54268000 0.18550800 1.0 F F93 1 0.54268000 0.18550800 0.10116400 1.0 F F94 1 0.18550800 0.10116400 0.54268000 1.0 F F95 1 0.89883600 0.45732000 0.81449200 1.0 F F96 1 0.45732000 0.81449200 0.89883600 1.0 F F97 1 0.81449200 0.89883600 0.45732000 1.0 F F98 1 0.15786000 0.52504600 0.98993300 1.0 F F99 1 0.52504600 0.98993300 0.15786000 1.0 F F100 1 0.98993300 0.15786000 0.52504600 1.0 F F101 1 0.84214000 0.47495400 0.01006700 1.0 F F102 1 0.47495400 0.01006700 0.84214000 1.0 F F103 1 0.01006700 0.84214000 0.47495400 1.0