# generated using pymatgen data_Nb4AlS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.71466299 _cell_length_b 6.71466248 _cell_length_c 12.09689318 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000250 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb4AlS8 _chemical_formula_sum 'Nb8 Al2 S16' _cell_volume 472.33798633 _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 0.01132280 0.50566140 0.25000000 1.0 Nb Nb1 1 0.98867720 0.49433860 0.75000000 1.0 Nb Nb2 1 0.49433860 0.50566140 0.25000000 1.0 Nb Nb3 1 0.50566140 0.49433860 0.75000000 1.0 Nb Nb4 1 0.49433860 0.98867720 0.25000000 1.0 Nb Nb5 1 0.50566140 0.01132280 0.75000000 1.0 Nb Nb6 1 0.00000000 0.00000000 0.25000000 1.0 Nb Nb7 1 0.00000000 0.00000000 0.75000000 1.0 Al Al8 1 0.00000000 0.00000000 0.00000000 1.0 Al Al9 1 0.00000000 0.00000000 0.50000000 1.0 S S10 1 0.33351514 0.16675807 0.11961736 1.0 S S11 1 0.66648386 0.83324193 0.88038264 1.0 S S12 1 0.83324193 0.16675807 0.11961736 1.0 S S13 1 0.66648486 0.83324193 0.61961736 1.0 S S14 1 0.16675807 0.83324193 0.88038264 1.0 S S15 1 0.33351614 0.16675807 0.38038264 1.0 S S16 1 0.83324193 0.66648486 0.11961736 1.0 S S17 1 0.16675807 0.83324193 0.61961736 1.0 S S18 1 0.16675807 0.33351614 0.88038264 1.0 S S19 1 0.83324193 0.16675807 0.38038264 1.0 S S20 1 0.16675807 0.33351514 0.61961736 1.0 S S21 1 0.83324193 0.66648386 0.38038264 1.0 S S22 1 0.33333300 0.66666700 0.11917509 1.0 S S23 1 0.66666700 0.33333300 0.88082491 1.0 S S24 1 0.66666700 0.33333300 0.61917509 1.0 S S25 1 0.33333300 0.66666700 0.38082491 1.0