# generated using pymatgen data_NbCr3(CuS4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.08135300 _cell_length_b 5.72584900 _cell_length_c 12.03479510 _cell_angle_alpha 89.47040572 _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 487.95107934 _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 0.47825800 0.74904300 1.0 Nb Nb1 1 0.25000000 0.52174200 0.25095700 1.0 Cr Cr2 1 0.00000000 0.50000000 0.00000000 1.0 Cr Cr3 1 0.00000000 0.00000000 0.50000000 1.0 Cr Cr4 1 0.50000000 0.00000000 0.50000000 1.0 Cr Cr5 1 0.50000000 0.50000000 0.00000000 1.0 Cr Cr6 1 0.25000000 0.98286700 0.75682700 1.0 Cr Cr7 1 0.75000000 0.01713300 0.24317300 1.0 Cu Cu8 1 0.75000000 0.10806700 0.90593600 1.0 Cu Cu9 1 0.25000000 0.89193300 0.09406400 1.0 Cu Cu10 1 0.25000000 0.59365000 0.59239700 1.0 Cu Cu11 1 0.75000000 0.40635000 0.40760300 1.0 S S12 1 0.01356000 0.26015700 0.83207600 1.0 S S13 1 0.98644000 0.73984300 0.16792400 1.0 S S14 1 0.99483800 0.76962500 0.66954400 1.0 S S15 1 0.00516200 0.23037500 0.33045600 1.0 S S16 1 0.49483800 0.23037500 0.33045600 1.0 S S17 1 0.50516200 0.76962500 0.66954400 1.0 S S18 1 0.51356000 0.73984300 0.16792400 1.0 S S19 1 0.48644000 0.26015700 0.83207600 1.0 S S20 1 0.25000000 0.73515800 0.91835000 1.0 S S21 1 0.75000000 0.26484200 0.08165000 1.0 S S22 1 0.75000000 0.23920400 0.58308600 1.0 S S23 1 0.25000000 0.76079600 0.41691400 1.0 S S24 1 0.75000000 0.71915000 0.91975300 1.0 S S25 1 0.25000000 0.28085000 0.08024700 1.0 S S26 1 0.25000000 0.20424500 0.58763500 1.0 S S27 1 0.75000000 0.79575500 0.41236500 1.0