# generated using pymatgen data_NbCr3(CuS4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40777100 _cell_length_b 11.10319800 _cell_length_c 12.42590900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCr3(CuS4)2 _chemical_formula_sum 'Nb2 Cr6 Cu4 S16' _cell_volume 470.16105916 _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 0.91767100 0.32336000 1.0 Nb Nb1 1 0.50000000 0.41767100 0.67664000 1.0 Cr Cr2 1 0.50000000 0.93997300 0.86972200 1.0 Cr Cr3 1 0.00000000 0.05910600 0.63495200 1.0 Cr Cr4 1 0.00000000 0.55910600 0.36504800 1.0 Cr Cr5 1 0.50000000 0.43997300 0.13027800 1.0 Cr Cr6 1 0.00000000 0.08307900 0.16603900 1.0 Cr Cr7 1 0.00000000 0.58307900 0.83396100 1.0 Cu Cu8 1 0.50000000 0.72258100 0.07515800 1.0 Cu Cu9 1 0.00000000 0.28037100 0.40836600 1.0 Cu Cu10 1 0.00000000 0.78037100 0.59163400 1.0 Cu Cu11 1 0.50000000 0.22258100 0.92484200 1.0 S S12 1 0.00000000 0.94206200 0.46611100 1.0 S S13 1 0.50000000 0.05802300 0.03852500 1.0 S S14 1 0.50000000 0.55802300 0.96147500 1.0 S S15 1 0.00000000 0.44206200 0.53388900 1.0 S S16 1 0.50000000 0.90974300 0.68213800 1.0 S S17 1 0.00000000 0.09039200 0.82199300 1.0 S S18 1 0.00000000 0.59039200 0.17800700 1.0 S S19 1 0.50000000 0.40974300 0.31786200 1.0 S S20 1 0.00000000 0.87052500 0.18369700 1.0 S S21 1 0.50000000 0.13128400 0.30025300 1.0 S S22 1 0.50000000 0.63128400 0.69974700 1.0 S S23 1 0.00000000 0.37052500 0.81630300 1.0 S S24 1 0.00000000 0.79696300 0.90771000 1.0 S S25 1 0.50000000 0.19822600 0.58897300 1.0 S S26 1 0.50000000 0.69822600 0.41102700 1.0 S S27 1 0.00000000 0.29696300 0.09229000 1.0