# generated using pymatgen data_BaSr3Cu8(BO3)8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.05987800 _cell_length_b 9.08960800 _cell_length_c 9.10371800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSr3Cu8(BO3)8 _chemical_formula_sum 'Ba1 Sr3 Cu8 B8 O24' _cell_volume 584.19945401 _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 0.50000000 0.50000000 0.00000000 1.0 Sr Sr1 1 0.50000000 0.00000000 0.50000000 1.0 Sr Sr2 1 0.00000000 0.50000000 0.00000000 1.0 Sr Sr3 1 0.00000000 0.00000000 0.50000000 1.0 Cu Cu4 1 0.21964100 0.38276500 0.38425700 1.0 Cu Cu5 1 0.72404700 0.88648900 0.88474900 1.0 Cu Cu6 1 0.21964100 0.61723500 0.61574300 1.0 Cu Cu7 1 0.72404700 0.11351100 0.11525100 1.0 Cu Cu8 1 0.78035900 0.61723500 0.38425700 1.0 Cu Cu9 1 0.27595300 0.11351100 0.88474900 1.0 Cu Cu10 1 0.27595300 0.88648900 0.11525100 1.0 Cu Cu11 1 0.78035900 0.38276500 0.61574300 1.0 B B12 1 0.76128000 0.70468100 0.70140900 1.0 B B13 1 0.25440000 0.20231700 0.20469400 1.0 B B14 1 0.76128000 0.29531900 0.29859100 1.0 B B15 1 0.25440000 0.79768300 0.79530600 1.0 B B16 1 0.74560000 0.79768300 0.20469400 1.0 B B17 1 0.23872000 0.29531900 0.70140900 1.0 B B18 1 0.74560000 0.20231700 0.79530600 1.0 B B19 1 0.23872000 0.70468100 0.29859100 1.0 O O20 1 0.74274700 0.85355500 0.66920000 1.0 O O21 1 0.23405900 0.35094100 0.17220300 1.0 O O22 1 0.74274700 0.14644500 0.33080000 1.0 O O23 1 0.23405900 0.64905900 0.82779700 1.0 O O24 1 0.25725300 0.14644500 0.66920000 1.0 O O25 1 0.76594100 0.64905900 0.17220300 1.0 O O26 1 0.25725300 0.85355500 0.33080000 1.0 O O27 1 0.76594100 0.35094100 0.82779700 1.0 O O28 1 0.75694500 0.83129500 0.35361800 1.0 O O29 1 0.24668500 0.32599800 0.85068500 1.0 O O30 1 0.75694500 0.16870500 0.64638200 1.0 O O31 1 0.24668500 0.67400200 0.14931500 1.0 O O32 1 0.24305500 0.16870500 0.35361800 1.0 O O33 1 0.75331500 0.67400200 0.85068500 1.0 O O34 1 0.24305500 0.83129500 0.64638200 1.0 O O35 1 0.75331500 0.32599800 0.14931500 1.0 O O36 1 0.78725800 0.59745400 0.59637100 1.0 O O37 1 0.28948300 0.09891700 0.09881300 1.0 O O38 1 0.78725800 0.40254600 0.40362900 1.0 O O39 1 0.28948300 0.90108300 0.90118700 1.0 O O40 1 0.71051700 0.90108300 0.09881300 1.0 O O41 1 0.21274200 0.40254600 0.59637100 1.0 O O42 1 0.71051700 0.09891700 0.90118700 1.0 O O43 1 0.21274200 0.59745400 0.40362900 1.0