# generated using pymatgen data_NbV2(BOs)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.99864452 _cell_length_b 8.86006821 _cell_length_c 15.32431599 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbV2(BOs)3 _chemical_formula_sum 'Nb4 V8 B12 Os12' _cell_volume 407.13941552 _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 Nb Nb0 1 0.00000000 0.68649345 0.20140879 1.0 Nb Nb1 1 0.00000000 0.31350655 0.79859121 1.0 Nb Nb2 1 0.00000000 0.18649345 0.29859121 1.0 Nb Nb3 1 0.00000000 0.81350655 0.70140879 1.0 V V4 1 0.00000000 0.78970186 0.49736253 1.0 V V5 1 0.00000000 0.21029814 0.50263747 1.0 V V6 1 0.00000000 0.28970186 0.00263747 1.0 V V7 1 0.00000000 0.71029814 0.99736253 1.0 V V8 1 0.00000000 0.51819184 0.58957558 1.0 V V9 1 0.00000000 0.48180816 0.41042442 1.0 V V10 1 0.00000000 0.01819184 0.91042442 1.0 V V11 1 0.00000000 0.98180816 0.08957558 1.0 B B12 1 0.50000000 0.60286102 0.49558324 1.0 B B13 1 0.50000000 0.39713898 0.50441676 1.0 B B14 1 0.50000000 0.10286102 0.00441676 1.0 B B15 1 0.50000000 0.89713898 0.99558324 1.0 B B16 1 0.00000000 0.60992492 0.83476858 1.0 B B17 1 0.00000000 0.39007508 0.16523142 1.0 B B18 1 0.00000000 0.10992492 0.66523142 1.0 B B19 1 0.00000000 0.89007508 0.33476858 1.0 B B20 1 0.50000000 0.70976548 0.59425635 1.0 B B21 1 0.50000000 0.29023452 0.40574365 1.0 B B22 1 0.50000000 0.20976548 0.90574365 1.0 B B23 1 0.50000000 0.79023452 0.09425635 1.0 Os Os24 1 0.50000000 0.71461235 0.36004366 1.0 Os Os25 1 0.50000000 0.28538765 0.63995634 1.0 Os Os26 1 0.50000000 0.21461235 0.13995634 1.0 Os Os27 1 0.50000000 0.78538765 0.86004366 1.0 Os Os28 1 0.50000000 0.51763484 0.08890689 1.0 Os Os29 1 0.50000000 0.48236516 0.91109311 1.0 Os Os30 1 0.50000000 0.01763484 0.41109311 1.0 Os Os31 1 0.50000000 0.98236516 0.58890689 1.0 Os Os32 1 0.50000000 0.56016193 0.73118719 1.0 Os Os33 1 0.50000000 0.43983807 0.26881281 1.0 Os Os34 1 0.50000000 0.06016193 0.76881281 1.0 Os Os35 1 0.50000000 0.93983807 0.23118719 1.0