# generated using pymatgen data_Cs(NbTe2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.50254950 _cell_length_b 6.50255138 _cell_length_c 20.11943392 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000079 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs(NbTe2)3 _chemical_formula_sum 'Cs2 Nb6 Te12' _cell_volume 736.73931405 _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 Cs Cs0 1 0.00000000 0.00000000 0.00000000 1.0 Cs Cs1 1 0.00000000 0.00000000 0.50000000 1.0 Nb Nb2 1 0.00000000 0.00000000 0.75000000 1.0 Nb Nb3 1 0.00000000 0.00000000 0.25000000 1.0 Nb Nb4 1 0.33333300 0.66666700 0.25000000 1.0 Nb Nb5 1 0.66666700 0.33333300 0.75000000 1.0 Nb Nb6 1 0.66666700 0.33333300 0.25000000 1.0 Nb Nb7 1 0.33333300 0.66666700 0.75000000 1.0 Te Te8 1 0.33513952 1.00000000 0.16033870 1.0 Te Te9 1 0.00000000 0.33513952 0.16033870 1.0 Te Te10 1 0.66486048 0.66486048 0.16033870 1.0 Te Te11 1 0.33513952 0.33513952 0.66033870 1.0 Te Te12 1 0.66486048 0.66486048 0.33966130 1.0 Te Te13 1 0.66486048 0.00000000 0.66033870 1.0 Te Te14 1 1.00000000 0.66486048 0.66033870 1.0 Te Te15 1 1.00000000 0.66486048 0.83966130 1.0 Te Te16 1 0.33513952 0.33513952 0.83966130 1.0 Te Te17 1 0.00000000 0.33513952 0.33966130 1.0 Te Te18 1 0.33513952 1.00000000 0.33966130 1.0 Te Te19 1 0.66486048 0.00000000 0.83966130 1.0