# generated using pymatgen data_NbBOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11639200 _cell_length_b 9.10968200 _cell_length_c 15.84685600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbBOs _chemical_formula_sum 'Nb12 B12 Os12' _cell_volume 449.88178462 _cell_formula_units_Z 12 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 Nb Nb0 1 0.00000000 0.80087600 0.49581300 1.0 Nb Nb1 1 0.00000000 0.19912400 0.50418700 1.0 Nb Nb2 1 0.00000000 0.30087600 0.00418700 1.0 Nb Nb3 1 0.00000000 0.69912400 0.99581300 1.0 Nb Nb4 1 0.00000000 0.51646200 0.59342300 1.0 Nb Nb5 1 0.00000000 0.48353800 0.40657700 1.0 Nb Nb6 1 0.00000000 0.01646200 0.90657700 1.0 Nb Nb7 1 0.00000000 0.98353800 0.09342300 1.0 Nb Nb8 1 0.00000000 0.68680400 0.20264600 1.0 Nb Nb9 1 0.00000000 0.31319600 0.79735400 1.0 Nb Nb10 1 0.00000000 0.18680400 0.29735400 1.0 Nb Nb11 1 0.00000000 0.81319600 0.70264600 1.0 B B12 1 0.50000000 0.60714500 0.49679300 1.0 B B13 1 0.50000000 0.39285500 0.50320700 1.0 B B14 1 0.50000000 0.10714500 0.00320700 1.0 B B15 1 0.50000000 0.89285500 0.99679300 1.0 B B16 1 0.00000000 0.61076600 0.83243100 1.0 B B17 1 0.00000000 0.38923400 0.16756900 1.0 B B18 1 0.00000000 0.11076600 0.66756900 1.0 B B19 1 0.00000000 0.88923400 0.33243100 1.0 B B20 1 0.50000000 0.71559700 0.59816800 1.0 B B21 1 0.50000000 0.28440300 0.40183200 1.0 B B22 1 0.50000000 0.21559700 0.90183200 1.0 B B23 1 0.50000000 0.78440300 0.09816800 1.0 Os Os24 1 0.50000000 0.71863200 0.35545600 1.0 Os Os25 1 0.50000000 0.28136800 0.64454400 1.0 Os Os26 1 0.50000000 0.21863200 0.14454400 1.0 Os Os27 1 0.50000000 0.78136800 0.85545600 1.0 Os Os28 1 0.50000000 0.51519700 0.09425000 1.0 Os Os29 1 0.50000000 0.48480300 0.90575000 1.0 Os Os30 1 0.50000000 0.01519700 0.40575000 1.0 Os Os31 1 0.50000000 0.98480300 0.59425000 1.0 Os Os32 1 0.50000000 0.56162400 0.73476300 1.0 Os Os33 1 0.50000000 0.43837600 0.26523700 1.0 Os Os34 1 0.50000000 0.06162400 0.76523700 1.0 Os Os35 1 0.50000000 0.93837600 0.23476300 1.0