# generated using pymatgen data_NaBO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.15149796 _cell_length_b 7.15149489 _cell_length_c 7.15149293 _cell_angle_alpha 111.72876805 _cell_angle_beta 111.72875027 _cell_angle_gamma 111.72874386 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaBO2 _chemical_formula_sum 'Na6 B6 O12' _cell_volume 255.33435095 _cell_formula_units_Z 6 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 Na Na0 1 0.81321781 0.24999987 0.68678213 1.0 Na Na1 1 0.68678186 0.81321756 0.24999970 1.0 Na Na2 1 0.25000030 0.68678423 0.81321663 1.0 Na Na3 1 0.18678272 0.75000033 0.31321811 1.0 Na Na4 1 0.31321634 0.18678345 0.74999990 1.0 Na Na5 1 0.75000015 0.31321763 0.18678254 1.0 B B6 1 0.87178571 0.74999984 0.62821434 1.0 B B7 1 0.12821423 0.24999971 0.37178543 1.0 B B8 1 0.37178591 0.12821407 0.25000023 1.0 B B9 1 0.25000012 0.37178597 0.12821430 1.0 B B10 1 0.62821458 0.87178509 0.75000003 1.0 B B11 1 0.75000025 0.62821486 0.87178554 1.0 O O12 1 0.74999971 0.86683270 0.63316701 1.0 O O13 1 0.86683319 0.63316686 0.75000017 1.0 O O14 1 0.36683289 0.24999989 0.13316712 1.0 O O15 1 0.63316706 0.74999996 0.86683299 1.0 O O16 1 0.24999985 0.13316670 0.36683298 1.0 O O17 1 0.13316717 0.36683317 0.25000017 1.0 O O18 1 0.75000079 0.51774661 0.98225480 1.0 O O19 1 0.51774579 0.98225416 0.75000017 1.0 O O20 1 0.98225314 0.74999938 0.51774586 1.0 O O21 1 0.25000048 0.48225439 0.01774604 1.0 O O22 1 0.48225434 0.01774581 0.24999996 1.0 O O23 1 0.01774562 0.24999973 0.48225387 1.0