# generated using pymatgen data_Sr16Cu8BC7O40 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.45559400 _cell_length_b 9.45936530 _cell_length_c 11.06984737 _cell_angle_alpha 89.39091736 _cell_angle_beta 89.58125514 _cell_angle_gamma 71.57628120 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr16Cu8BC7O40 _chemical_formula_sum 'Sr16 Cu8 B1 C7 O40' _cell_volume 939.32042153 _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 Sr Sr0 1 0.62928700 0.12924700 0.75191800 1.0 Sr Sr1 1 0.64149600 0.14640900 0.24957300 1.0 Sr Sr2 1 0.37794600 0.37960500 0.49705400 1.0 Sr Sr3 1 0.11762800 0.11827000 0.48981400 1.0 Sr Sr4 1 0.38844500 0.38352100 0.00686000 1.0 Sr Sr5 1 0.13587500 0.61757300 0.25506300 1.0 Sr Sr6 1 0.88248800 0.36451800 0.24702600 1.0 Sr Sr7 1 0.12628000 0.11399100 0.00428700 1.0 Sr Sr8 1 0.14601000 0.64463900 0.75058400 1.0 Sr Sr9 1 0.88560100 0.88387600 0.00539600 1.0 Sr Sr10 1 0.61414000 0.61326300 0.99818300 1.0 Sr Sr11 1 0.85620400 0.35416200 0.74887100 1.0 Sr Sr12 1 0.88914700 0.88704800 0.50107500 1.0 Sr Sr13 1 0.37242200 0.86818700 0.74420800 1.0 Sr Sr14 1 0.61790700 0.61224900 0.49679700 1.0 Sr Sr15 1 0.35455100 0.85866600 0.24811200 1.0 Cu Cu16 1 0.75038000 0.24942300 0.49874200 1.0 Cu Cu17 1 0.00372600 0.99819400 0.24868200 1.0 Cu Cu18 1 0.49936000 0.49416200 0.25003900 1.0 Cu Cu19 1 0.75365900 0.24833000 0.99948000 1.0 Cu Cu20 1 0.25046100 0.74896500 0.99934300 1.0 Cu Cu21 1 0.50060800 0.49742200 0.74884700 1.0 Cu Cu22 1 0.00113500 0.00070300 0.75048400 1.0 Cu Cu23 1 0.25173100 0.74840400 0.50000600 1.0 B B24 1 0.25378600 0.25310100 0.26016800 1.0 C C25 1 0.24851400 0.25433500 0.73761700 1.0 C C26 1 0.48805500 0.00945000 0.00306300 1.0 C C27 1 0.00769100 0.49032700 0.99490200 1.0 C C28 1 0.74819000 0.75565000 0.23732400 1.0 C C29 1 0.75394300 0.74898500 0.75966000 1.0 C C30 1 0.98284100 0.51382400 0.50648200 1.0 C C31 1 0.51050400 0.98621100 0.49888300 1.0 O O32 1 0.86102600 0.11230600 0.87404200 1.0 O O33 1 0.87093700 0.12056500 0.62453500 1.0 O O34 1 0.61387500 0.36175600 0.62343200 1.0 O O35 1 0.31546500 0.15876500 0.65492500 1.0 O O36 1 0.52412600 0.10395500 0.44648600 1.0 O O37 1 0.60509300 0.02067000 0.05630000 1.0 O O38 1 0.36556500 0.61230400 0.37648800 1.0 O O39 1 0.37220500 0.30228000 0.22516800 1.0 O O40 1 0.93179800 0.40515100 0.53336500 1.0 O O41 1 0.15515400 0.33299700 0.34826400 1.0 O O42 1 0.23172700 0.12720400 0.21144400 1.0 O O43 1 0.88170500 0.12829000 0.37419900 1.0 O O44 1 0.41836100 0.10974500 0.92383900 1.0 O O45 1 0.37287600 0.62018200 0.12436000 1.0 O O46 1 0.62095800 0.36860100 0.87503500 1.0 O O47 1 0.64038500 0.38518500 0.37321400 1.0 O O48 1 0.88896400 0.13297700 0.12327000 1.0 O O49 1 0.10255500 0.41926200 0.07659400 1.0 O O50 1 0.11624400 0.85906100 0.12495800 1.0 O O51 1 0.81561500 0.65959100 0.15525300 1.0 O O52 1 0.13103800 0.24206300 0.79125700 1.0 O O53 1 0.30161400 0.36079800 0.76422600 1.0 O O54 1 0.90009300 0.44027300 0.96508700 1.0 O O55 1 0.63672200 0.38036200 0.12331100 1.0 O O56 1 0.02165400 0.60920500 0.94452100 1.0 O O57 1 0.09954300 0.52657500 0.55968300 1.0 O O58 1 0.86403100 0.79523300 0.72761100 1.0 O O59 1 0.43786100 0.89952600 0.02709900 1.0 O O60 1 0.65992800 0.82236900 0.84120400 1.0 O O61 1 0.73601900 0.63122500 0.71236200 1.0 O O62 1 0.38071600 0.62905100 0.87416300 1.0 O O63 1 0.91285400 0.61296100 0.42678100 1.0 O O64 1 0.12137200 0.86732700 0.37542100 1.0 O O65 1 0.13832400 0.88728500 0.87415100 1.0 O O66 1 0.38666400 0.63508400 0.62526500 1.0 O O67 1 0.60564000 0.91745100 0.58121800 1.0 O O68 1 0.62974800 0.74442800 0.29008300 1.0 O O69 1 0.80109500 0.86236100 0.26394800 1.0 O O70 1 0.40310200 0.93462900 0.47112200 1.0 O O71 1 0.13148400 0.88091600 0.62453700 1.0