# generated using pymatgen data_NbCr3(CuS4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.11439000 _cell_length_b 5.77587600 _cell_length_c 8.88954106 _cell_angle_alpha 50.52509141 _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 480.13295751 _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 0.00000000 0.00000000 1.0 Nb Nb1 1 0.00000000 0.00000000 0.50000000 1.0 Cr Cr2 1 0.00000000 0.50000000 0.00000000 1.0 Cr Cr3 1 0.50000000 0.50000000 0.50000000 1.0 Cr Cr4 1 0.75040900 0.22087400 0.77044500 1.0 Cr Cr5 1 0.24959100 0.77912600 0.22955500 1.0 Cr Cr6 1 0.74959100 0.22087400 0.27044500 1.0 Cr Cr7 1 0.25040900 0.77912600 0.72955500 1.0 Cu Cu8 1 0.91590300 0.84907400 0.26065600 1.0 Cu Cu9 1 0.08409700 0.15092600 0.73934400 1.0 Cu Cu10 1 0.58409700 0.84907400 0.76065600 1.0 Cu Cu11 1 0.41590300 0.15092600 0.23934400 1.0 S S12 1 0.82969800 0.27203500 0.00302900 1.0 S S13 1 0.17030200 0.72796500 0.99697100 1.0 S S14 1 0.67170200 0.73737200 0.02112100 1.0 S S15 1 0.32829800 0.26262800 0.97887900 1.0 S S16 1 0.32969800 0.72796500 0.49697100 1.0 S S17 1 0.67030200 0.27203500 0.50302900 1.0 S S18 1 0.17170200 0.26262800 0.47887900 1.0 S S19 1 0.82829800 0.73737200 0.52112100 1.0 S S20 1 0.91218100 0.98921900 0.76042200 1.0 S S21 1 0.08781900 0.01078100 0.23957800 1.0 S S22 1 0.58781900 0.98921900 0.26042200 1.0 S S23 1 0.41218100 0.01078100 0.73957800 1.0 S S24 1 0.91183200 0.47964900 0.24613100 1.0 S S25 1 0.08816800 0.52035100 0.75386900 1.0 S S26 1 0.58816800 0.47964900 0.74613100 1.0 S S27 1 0.41183200 0.52035100 0.25386900 1.0