# generated using pymatgen data_MnNb3B3Os2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11444962 _cell_length_b 6.35503181 _cell_length_c 10.88221584 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnNb3B3Os2 _chemical_formula_sum 'Mn2 Nb6 B6 Os4' _cell_volume 215.38545609 _cell_formula_units_Z 2 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 Mn Mn0 1 0.50000000 0.69942458 0.25000000 1.0 Mn Mn1 1 0.50000000 0.30057542 0.75000000 1.0 Nb Nb2 1 0.00000000 0.27746575 0.95047221 1.0 Nb Nb3 1 0.00000000 0.72253425 0.04952779 1.0 Nb Nb4 1 0.00000000 0.27746575 0.54952779 1.0 Nb Nb5 1 0.00000000 0.72253425 0.45047221 1.0 Nb Nb6 1 0.00000000 0.36388323 0.25000000 1.0 Nb Nb7 1 0.00000000 0.63611677 0.75000000 1.0 B B8 1 0.00000000 0.93791154 0.25000000 1.0 B B9 1 0.00000000 0.06208846 0.75000000 1.0 B B10 1 0.50000000 0.44985936 0.08541775 1.0 B B11 1 0.50000000 0.55014064 0.91458225 1.0 B B12 1 0.50000000 0.44985936 0.41458225 1.0 B B13 1 0.50000000 0.55014064 0.58541775 1.0 Os Os14 1 0.50000000 0.07301747 0.12386689 1.0 Os Os15 1 0.50000000 0.92698253 0.87613311 1.0 Os Os16 1 0.50000000 0.07301747 0.37613311 1.0 Os Os17 1 0.50000000 0.92698253 0.62386689 1.0