# generated using pymatgen data_Nb4OsS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.69166137 _cell_length_b 6.69166021 _cell_length_c 11.98264360 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999870 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb4OsS8 _chemical_formula_sum 'Nb8 Os2 S16' _cell_volume 464.67693414 _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 Nb Nb0 1 0.01379302 0.50689634 0.25000000 1.0 Nb Nb1 1 0.98620698 0.49310366 0.75000000 1.0 Nb Nb2 1 0.49310342 0.50689659 0.25000000 1.0 Nb Nb3 1 0.50689658 0.49310341 0.75000000 1.0 Nb Nb4 1 0.49310357 0.98620661 0.25000000 1.0 Nb Nb5 1 0.50689643 0.01379339 0.75000000 1.0 Nb Nb6 1 0.00000009 0.99999980 0.25000000 1.0 Nb Nb7 1 0.99999991 0.00000020 0.75000000 1.0 Os Os8 1 0.00000000 0.00000000 0.00000000 1.0 Os Os9 1 0.00000000 0.00000000 0.50000000 1.0 S S10 1 0.33085810 0.16542895 0.11935204 1.0 S S11 1 0.66914190 0.83457105 0.88064796 1.0 S S12 1 0.83457120 0.16542883 0.11935214 1.0 S S13 1 0.66914190 0.83457105 0.61935204 1.0 S S14 1 0.16542880 0.83457117 0.88064786 1.0 S S15 1 0.33085810 0.16542895 0.38064796 1.0 S S16 1 0.83457105 0.66914194 0.11935207 1.0 S S17 1 0.16542880 0.83457117 0.61935214 1.0 S S18 1 0.16542895 0.33085806 0.88064793 1.0 S S19 1 0.83457120 0.16542883 0.38064786 1.0 S S20 1 0.16542895 0.33085806 0.61935207 1.0 S S21 1 0.83457105 0.66914194 0.38064793 1.0 S S22 1 0.33333320 0.66666666 0.11545123 1.0 S S23 1 0.66666680 0.33333334 0.88454877 1.0 S S24 1 0.66666680 0.33333334 0.61545123 1.0 S S25 1 0.33333320 0.66666666 0.38454877 1.0