# generated using pymatgen data_LuNb8VS16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.72157504 _cell_length_b 6.72157597 _cell_length_c 12.81010052 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001025 _symmetry_Int_Tables_number 1 _chemical_formula_structural LuNb8VS16 _chemical_formula_sum 'Lu1 Nb8 V1 S16' _cell_volume 501.21641662 _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 Lu Lu0 1 0.00000000 0.00000000 0.00000000 1.0 Nb Nb1 1 0.00000000 0.00000000 0.26163680 1.0 Nb Nb2 1 0.00000000 0.00000000 0.73836320 1.0 Nb Nb3 1 0.50517845 0.01035491 0.26300378 1.0 Nb Nb4 1 0.49482155 0.98964509 0.73699622 1.0 Nb Nb5 1 0.98964509 0.49482155 0.26300378 1.0 Nb Nb6 1 0.01035491 0.50517845 0.73699622 1.0 Nb Nb7 1 0.50517845 0.49482155 0.26300378 1.0 Nb Nb8 1 0.49482155 0.50517845 0.73699622 1.0 V V9 1 0.00000000 0.00000000 0.50000000 1.0 S S10 1 0.33333300 0.66666700 0.61339434 1.0 S S11 1 0.66666700 0.33333300 0.38660566 1.0 S S12 1 0.66666700 0.33333300 0.13841045 1.0 S S13 1 0.33333300 0.66666700 0.86158955 1.0 S S14 1 0.16842287 0.33684574 0.13923482 1.0 S S15 1 0.83157713 0.66315426 0.86076518 1.0 S S16 1 0.66315426 0.83157713 0.13923482 1.0 S S17 1 0.83400748 0.66801597 0.61604863 1.0 S S18 1 0.33684574 0.16842287 0.86076518 1.0 S S19 1 0.16599252 0.33198403 0.38395137 1.0 S S20 1 0.16842287 0.83157713 0.13923482 1.0 S S21 1 0.33198403 0.16599252 0.61604863 1.0 S S22 1 0.83157713 0.16842287 0.86076518 1.0 S S23 1 0.66801597 0.83400748 0.38395137 1.0 S S24 1 0.83400748 0.16599252 0.61604863 1.0 S S25 1 0.16599252 0.83400748 0.38395137 1.0