# generated using pymatgen data_Nb4VS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.70720902 _cell_length_b 6.70720832 _cell_length_c 12.24634522 _cell_angle_alpha 89.99998912 _cell_angle_beta 90.00001160 _cell_angle_gamma 119.99992061 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb4VS8 _chemical_formula_sum 'Nb8 V2 S16' _cell_volume 477.11284974 _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 -0.00000010 0.00000002 0.25004126 1.0 Nb Nb1 1 -0.00000003 -0.00000007 0.74995720 1.0 Nb Nb2 1 0.50553584 0.49446417 0.25003427 1.0 Nb Nb3 1 0.50553571 0.01107179 0.25003427 1.0 Nb Nb4 1 0.98892819 0.49446426 0.25003424 1.0 Nb Nb5 1 0.49447313 0.50552687 0.74996523 1.0 Nb Nb6 1 0.49447335 0.98894627 0.74996521 1.0 Nb Nb7 1 0.01105370 0.50552659 0.74996521 1.0 V V8 1 0.00000008 0.00000011 0.50000218 1.0 V V9 1 -0.00000001 -0.00000011 0.00000071 1.0 S S10 1 0.33333330 0.66666677 0.87983042 1.0 S S11 1 0.66666672 0.33333335 0.12020297 1.0 S S12 1 0.66666667 0.33333329 0.37989666 1.0 S S13 1 0.33333319 0.66666684 0.62006892 1.0 S S14 1 0.16618785 0.83381206 0.37807070 1.0 S S15 1 0.16618790 0.33237600 0.37807059 1.0 S S16 1 0.66762408 0.83381224 0.37807062 1.0 S S17 1 0.83381240 0.16618749 0.62191432 1.0 S S18 1 0.83381250 0.66762452 0.62191445 1.0 S S19 1 0.33237553 0.16618764 0.62191446 1.0 S S20 1 0.83381700 0.16618275 0.87800395 1.0 S S21 1 0.83381703 0.66763386 0.87800379 1.0 S S22 1 0.33236614 0.16618300 0.87800373 1.0 S S23 1 0.16617987 0.83382002 0.12201079 1.0 S S24 1 0.16617997 0.33236008 0.12201093 1.0 S S25 1 0.66763999 0.83382017 0.12201092 1.0