# generated using pymatgen data_YNb6VS12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.83370162 _cell_length_b 5.83370372 _cell_length_c 13.00264217 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999379 _symmetry_Int_Tables_number 1 _chemical_formula_structural YNb6VS12 _chemical_formula_sum 'Y1 Nb6 V1 S12' _cell_volume 383.22236847 _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 0.33333300 0.66666700 0.25000000 1.0 Nb Nb1 1 0.00000000 0.00000000 0.51687132 1.0 Nb Nb2 1 0.00000000 0.00000000 0.98312868 1.0 Nb Nb3 1 0.33333300 0.66666700 0.98309319 1.0 Nb Nb4 1 0.66666700 0.33333300 0.98581998 1.0 Nb Nb5 1 0.66666700 0.33333300 0.51418002 1.0 Nb Nb6 1 0.33333300 0.66666700 0.51690681 1.0 V V7 1 0.66666700 0.33333300 0.75000000 1.0 S S8 1 0.33077493 0.32940198 0.39413438 1.0 S S9 1 0.67059802 0.00137395 0.39413438 1.0 S S10 1 0.99862605 0.66922507 0.39413438 1.0 S S11 1 0.33470940 0.33289660 0.63609819 1.0 S S12 1 0.99818621 0.66529060 0.63609819 1.0 S S13 1 0.66710340 0.00181379 0.63609819 1.0 S S14 1 0.66710340 0.66529060 0.86390181 1.0 S S15 1 0.33470940 0.00181379 0.86390181 1.0 S S16 1 0.99818621 0.33289660 0.86390181 1.0 S S17 1 0.67059802 0.66922507 0.10586562 1.0 S S18 1 0.99862605 0.32940198 0.10586562 1.0 S S19 1 0.33077493 0.00137395 0.10586562 1.0