# generated using pymatgen data_NbCr3(CuS4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.39172715 _cell_length_b 6.97237700 _cell_length_c 11.85879415 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.03455537 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCr3(CuS4)2 _chemical_formula_sum 'Nb4 Cr12 Cu8 S32' _cell_volume 941.91320931 _cell_formula_units_Z 4 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 0.90720600 0.11920700 0.18050200 1.0 Nb Nb1 1 0.40720600 0.88079300 0.18050200 1.0 Nb Nb2 1 0.86285900 0.63442800 0.82824100 1.0 Nb Nb3 1 0.36285900 0.36557200 0.82824100 1.0 Cr Cr4 1 0.10677000 0.86543600 0.69219600 1.0 Cr Cr5 1 0.60677000 0.13456400 0.69219600 1.0 Cr Cr6 1 0.12411200 0.36608800 0.33040900 1.0 Cr Cr7 1 0.62411200 0.63391200 0.33040900 1.0 Cr Cr8 1 0.16732100 0.60625200 0.93827600 1.0 Cr Cr9 1 0.84433600 0.39519900 0.45816200 1.0 Cr Cr10 1 0.34433600 0.60480100 0.45816200 1.0 Cr Cr11 1 0.66732100 0.39374800 0.93827600 1.0 Cr Cr12 1 0.13489500 0.14581700 0.98140100 1.0 Cr Cr13 1 0.85993000 0.89135700 0.48595000 1.0 Cr Cr14 1 0.35993000 0.10864300 0.48595000 1.0 Cr Cr15 1 0.63489500 0.85418300 0.98140100 1.0 Cu Cu16 1 0.08882600 0.35931500 0.66789900 1.0 Cu Cu17 1 0.88981500 0.62600400 0.19056700 1.0 Cu Cu18 1 0.38981500 0.37399600 0.19056700 1.0 Cu Cu19 1 0.58882600 0.64068500 0.66789900 1.0 Cu Cu20 1 0.12078200 0.88083200 0.33987500 1.0 Cu Cu21 1 0.87577600 0.09504300 0.82362300 1.0 Cu Cu22 1 0.37577600 0.90495700 0.82362300 1.0 Cu Cu23 1 0.62078200 0.11916800 0.33987500 1.0 S S24 1 0.03053700 0.85032300 0.88558200 1.0 S S25 1 0.97210100 0.14883300 0.38548100 1.0 S S26 1 0.47210100 0.85116700 0.38548100 1.0 S S27 1 0.53053700 0.14967700 0.88558200 1.0 S S28 1 0.04138600 0.36763800 0.13624600 1.0 S S29 1 0.96753800 0.63132000 0.63789100 1.0 S S30 1 0.46753800 0.36868000 0.63789100 1.0 S S31 1 0.54138600 0.63236200 0.13624600 1.0 S S32 1 0.02788300 0.38514000 0.86798000 1.0 S S33 1 0.98168100 0.61501100 0.36925100 1.0 S S34 1 0.48168100 0.38498900 0.36925100 1.0 S S35 1 0.52788300 0.61486000 0.86798000 1.0 S S36 1 0.03200900 0.87028100 0.15019800 1.0 S S37 1 0.96600900 0.08425400 0.64415700 1.0 S S38 1 0.46600900 0.91574600 0.64415700 1.0 S S39 1 0.53200900 0.12971900 0.15019800 1.0 S S40 1 0.21661700 0.86412600 0.51988900 1.0 S S41 1 0.77953500 0.12217000 0.01687100 1.0 S S42 1 0.27953500 0.87783000 0.01687100 1.0 S S43 1 0.71661700 0.13587400 0.51988900 1.0 S S44 1 0.21502300 0.35786000 0.51208600 1.0 S S45 1 0.78589100 0.62887400 0.02117700 1.0 S S46 1 0.28589100 0.37112600 0.02117700 1.0 S S47 1 0.71502300 0.64214000 0.51208600 1.0 S S48 1 0.22345500 0.12181900 0.78670800 1.0 S S49 1 0.76726700 0.88705700 0.29707900 1.0 S S50 1 0.26726700 0.11294300 0.29707900 1.0 S S51 1 0.72345500 0.87818100 0.78670800 1.0 S S52 1 0.25096100 0.64047500 0.76635700 1.0 S S53 1 0.75948000 0.38494200 0.27994900 1.0 S S54 1 0.25948000 0.61505800 0.27994900 1.0 S S55 1 0.75096100 0.35952500 0.76635700 1.0