# generated using pymatgen data_NbCuTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.84085500 _cell_length_b 6.79691700 _cell_length_c 7.32761011 _cell_angle_alpha 72.25020294 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCuTe2 _chemical_formula_sum 'Nb2 Cu2 Te4' _cell_volume 182.18817915 _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 0.75000000 0.17451400 0.00562100 1.0 Nb Nb1 1 0.25000000 0.82548600 0.99437900 1.0 Cu Cu2 1 0.75000000 0.39222400 0.59105500 1.0 Cu Cu3 1 0.25000000 0.60777600 0.40894500 1.0 Te Te4 1 0.25000000 0.00998800 0.28771700 1.0 Te Te5 1 0.25000000 0.49507900 0.79386000 1.0 Te Te6 1 0.75000000 0.99001200 0.71228300 1.0 Te Te7 1 0.75000000 0.50492100 0.20614000 1.0