# generated using pymatgen data_NbCr3(CuS4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01740000 _cell_length_b 7.16411800 _cell_length_c 9.83973800 _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 494.67788782 _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 0.00000000 0.47461500 0.50000000 1.0 Nb Nb1 1 0.50000000 0.52538500 0.50000000 1.0 Cr Cr2 1 0.25411500 0.74952400 0.25131500 1.0 Cr Cr3 1 0.74588500 0.74952400 0.74868500 1.0 Cr Cr4 1 0.24588500 0.25047600 0.25131500 1.0 Cr Cr5 1 0.75411500 0.25047600 0.74868500 1.0 Cr Cr6 1 0.00000000 0.99919600 0.00000000 1.0 Cr Cr7 1 0.50000000 0.00080400 0.00000000 1.0 Cu Cu8 1 0.75000000 0.00000000 0.36111400 1.0 Cu Cu9 1 0.75000000 0.50000000 0.11292300 1.0 Cu Cu10 1 0.25000000 0.00000000 0.63888600 1.0 Cu Cu11 1 0.25000000 0.50000000 0.88707700 1.0 S S12 1 0.74928200 0.77068300 0.99085900 1.0 S S13 1 0.24197100 0.74656400 0.49973300 1.0 S S14 1 0.74197100 0.25343600 0.50026700 1.0 S S15 1 0.24928200 0.22931700 0.00914100 1.0 S S16 1 0.02380500 0.99708900 0.24212500 1.0 S S17 1 0.98416000 0.50278300 0.75027400 1.0 S S18 1 0.52380500 0.00291100 0.75787500 1.0 S S19 1 0.48416000 0.49721700 0.24972600 1.0 S S20 1 0.25802900 0.25343600 0.49973300 1.0 S S21 1 0.75071800 0.22931700 0.99085900 1.0 S S22 1 0.25071800 0.77068300 0.00914100 1.0 S S23 1 0.75802900 0.74656400 0.50026700 1.0 S S24 1 0.51584000 0.49721700 0.75027400 1.0 S S25 1 0.47619500 0.00291100 0.24212500 1.0 S S26 1 0.01584000 0.50278300 0.24972600 1.0 S S27 1 0.97619500 0.99708900 0.75787500 1.0