# generated using pymatgen data_YTi(NbS2)8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.72803345 _cell_length_b 6.72803269 _cell_length_c 12.98105719 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001363 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTi(NbS2)8 _chemical_formula_sum 'Y1 Ti1 Nb8 S16' _cell_volume 508.88174307 _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 Y Y0 1 0.00000000 0.00000000 0.50000000 1.0 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1.0 Nb Nb2 1 0.00000000 0.00000000 0.23595053 1.0 Nb Nb3 1 0.00000000 0.00000000 0.76404947 1.0 Nb Nb4 1 0.50538030 0.49461970 0.23454020 1.0 Nb Nb5 1 0.50538030 0.01076160 0.23454020 1.0 Nb Nb6 1 0.98923840 0.49461970 0.23454020 1.0 Nb Nb7 1 0.49461970 0.50538030 0.76545980 1.0 Nb Nb8 1 0.49461970 0.98923840 0.76545980 1.0 Nb Nb9 1 0.01076160 0.50538030 0.76545980 1.0 S S10 1 0.33333300 0.66666700 0.88715239 1.0 S S11 1 0.66666700 0.33333300 0.11284761 1.0 S S12 1 0.66666700 0.33333300 0.35778359 1.0 S S13 1 0.33333300 0.66666700 0.64221641 1.0 S S14 1 0.16891066 0.83108934 0.35601274 1.0 S S15 1 0.16891066 0.33782033 0.35601274 1.0 S S16 1 0.66217967 0.83108934 0.35601274 1.0 S S17 1 0.83108934 0.16891066 0.64398726 1.0 S S18 1 0.83108934 0.66217967 0.64398726 1.0 S S19 1 0.33782033 0.16891066 0.64398726 1.0 S S20 1 0.83364731 0.16635269 0.88576093 1.0 S S21 1 0.83364731 0.66729561 0.88576093 1.0 S S22 1 0.33270439 0.16635269 0.88576093 1.0 S S23 1 0.16635269 0.83364731 0.11423907 1.0 S S24 1 0.16635269 0.33270439 0.11423907 1.0 S S25 1 0.66729561 0.83364731 0.11423907 1.0