# generated using pymatgen data_Nb7S8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.73775389 _cell_length_b 6.73775389 _cell_length_c 6.46268900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999891 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb7S8 _chemical_formula_sum 'Nb7 S8' _cell_volume 254.08216444 _cell_formula_units_Z 1 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 0.14630500 0.29261000 0.50018300 1.0 Nb Nb1 1 0.14630500 0.85369500 0.50018300 1.0 Nb Nb2 1 0.70739000 0.85369500 0.50018300 1.0 Nb Nb3 1 0.18723800 0.37447600 0.00268500 1.0 Nb Nb4 1 0.18723800 0.81276200 0.00268500 1.0 Nb Nb5 1 0.62552400 0.81276200 0.00268500 1.0 Nb Nb6 1 0.66666700 0.33333300 0.50473700 1.0 S S7 1 0.00000000 0.00000000 0.21883100 1.0 S S8 1 0.33333300 0.66666700 0.71993100 1.0 S S9 1 0.50550200 0.49449800 0.25264300 1.0 S S10 1 0.98899600 0.49449800 0.25264300 1.0 S S11 1 0.50550200 0.01100400 0.25264300 1.0 S S12 1 0.83024700 0.16975300 0.76322700 1.0 S S13 1 0.33950500 0.16975300 0.76322700 1.0 S S14 1 0.83024700 0.66049500 0.76322700 1.0