# generated using pymatgen data_Zn3(BO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.54097291 _cell_length_b 12.54097291 _cell_length_c 8.48316326 _cell_angle_alpha 76.82810111 _cell_angle_beta 76.82810111 _cell_angle_gamma 23.39913239 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn3(BO3)2 _chemical_formula_sum 'Zn12 B8 O24' _cell_volume 515.30907351 _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 Zn Zn0 1 0.44446000 0.80992500 0.62011500 1.0 Zn Zn1 1 0.19007500 0.55554000 0.87988500 1.0 Zn Zn2 1 0.55554000 0.19007500 0.37988500 1.0 Zn Zn3 1 0.80992500 0.44446000 0.12011500 1.0 Zn Zn4 1 0.87386800 0.22407900 0.82509300 1.0 Zn Zn5 1 0.77592100 0.12613200 0.67490700 1.0 Zn Zn6 1 0.12613200 0.77592100 0.17490700 1.0 Zn Zn7 1 0.22407900 0.87386800 0.32509300 1.0 Zn Zn8 1 0.51851100 0.90069100 0.28778800 1.0 Zn Zn9 1 0.09930900 0.48148900 0.21221200 1.0 Zn Zn10 1 0.48148900 0.09930900 0.71221200 1.0 Zn Zn11 1 0.90069100 0.51851100 0.78778800 1.0 B B12 1 0.61082000 0.25857600 0.03727600 1.0 B B13 1 0.74142400 0.38918000 0.46272400 1.0 B B14 1 0.38918000 0.74142400 0.96272400 1.0 B B15 1 0.25857600 0.61082000 0.53727600 1.0 B B16 1 0.00228000 0.37250500 0.47982200 1.0 B B17 1 0.62749500 0.99772000 0.02017800 1.0 B B18 1 0.99772000 0.62749500 0.52017800 1.0 B B19 1 0.37250500 0.00228000 0.97982200 1.0 O O20 1 0.76357300 0.16434000 0.89905400 1.0 O O21 1 0.83566000 0.23642700 0.60094600 1.0 O O22 1 0.23642700 0.83566000 0.10094600 1.0 O O23 1 0.16434000 0.76357300 0.39905400 1.0 O O24 1 0.49448300 0.66758100 0.46015700 1.0 O O25 1 0.33241900 0.50551700 0.03984300 1.0 O O26 1 0.50551700 0.33241900 0.53984300 1.0 O O27 1 0.66758100 0.49448300 0.96015700 1.0 O O28 1 0.26153600 0.89919200 0.81996300 1.0 O O29 1 0.10080800 0.73846400 0.68003700 1.0 O O30 1 0.73846400 0.10080800 0.18003700 1.0 O O31 1 0.89919200 0.26153600 0.31996300 1.0 O O32 1 0.83850400 0.48897000 0.62021600 1.0 O O33 1 0.51103000 0.16149600 0.87978400 1.0 O O34 1 0.16149600 0.51103000 0.37978400 1.0 O O35 1 0.48897000 0.83850400 0.12021600 1.0 O O36 1 0.47112200 0.09772400 0.16005600 1.0 O O37 1 0.90227600 0.52887800 0.33994400 1.0 O O38 1 0.52887800 0.90227600 0.83994400 1.0 O O39 1 0.09772400 0.47112200 0.66005600 1.0 O O40 1 0.27051800 0.09699100 0.47955900 1.0 O O41 1 0.90300900 0.72948200 0.02044100 1.0 O O42 1 0.72948200 0.90300900 0.52044100 1.0 O O43 1 0.09699100 0.27051800 0.97955900 1.0