# generated using pymatgen data_Nb4Te8C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60316758 _cell_length_b 11.60445996 _cell_length_c 16.93332668 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb4Te8C _chemical_formula_sum 'Nb8 Te16 C2' _cell_volume 708.03003788 _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 0.50000000 0.07591330 0.06992672 1.0 Nb Nb1 1 0.50000000 0.92408570 0.93007328 1.0 Nb Nb2 1 0.50000000 0.57591430 0.43007328 1.0 Nb Nb3 1 0.50000000 0.42408570 0.56992672 1.0 Nb Nb4 1 0.00000000 0.34741435 0.42539978 1.0 Nb Nb5 1 0.00000000 0.65258565 0.57460022 1.0 Nb Nb6 1 0.00000000 0.84741435 0.07460022 1.0 Nb Nb7 1 0.00000000 0.15258565 0.92539978 1.0 Te Te8 1 0.50000000 0.29897400 0.00432630 1.0 Te Te9 1 0.50000000 0.70102600 0.99567370 1.0 Te Te10 1 0.50000000 0.79897400 0.49567370 1.0 Te Te11 1 0.50000000 0.20102600 0.50432630 1.0 Te Te12 1 0.50000000 0.41800799 0.30921715 1.0 Te Te13 1 0.50000000 0.58199201 0.69078285 1.0 Te Te14 1 0.50000000 0.91800799 0.19078285 1.0 Te Te15 1 0.50000000 0.08199201 0.80921715 1.0 Te Te16 1 0.00000000 0.13308596 0.32722333 1.0 Te Te17 1 0.00000000 0.86691404 0.67277667 1.0 Te Te18 1 0.00000000 0.63308596 0.17277667 1.0 Te Te19 1 0.00000000 0.36691404 0.82722333 1.0 Te Te20 1 0.00000000 0.20745720 0.17058212 1.0 Te Te21 1 0.00000000 0.79254280 0.82941788 1.0 Te Te22 1 0.00000000 0.70745720 0.32941788 1.0 Te Te23 1 0.00000000 0.29254280 0.67058212 1.0 C C24 1 0.00000000 0.00000000 0.00000000 1.0 C C25 1 0.00000000 0.50000000 0.50000000 1.0