# generated using pymatgen data_NbCr3(CuS4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72192000 _cell_length_b 7.08179100 _cell_length_c 12.08322900 _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 489.62985776 _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 0.77275100 0.50000000 0.75579300 1.0 Nb Nb1 1 0.22724900 0.50000000 0.25579300 1.0 Cr Cr2 1 0.25468000 0.75349800 0.00012900 1.0 Cr Cr3 1 0.74532000 0.75349800 0.50012900 1.0 Cr Cr4 1 0.74532000 0.24650200 0.50012900 1.0 Cr Cr5 1 0.25468000 0.24650200 0.00012900 1.0 Cr Cr6 1 0.73233600 0.00000000 0.24307900 1.0 Cr Cr7 1 0.26766400 0.00000000 0.74307900 1.0 Cu Cu8 1 0.85353900 0.50000000 0.10070600 1.0 Cu Cu9 1 0.66261100 0.00000000 0.91032400 1.0 Cu Cu10 1 0.33738900 0.00000000 0.41032400 1.0 Cu Cu11 1 0.14646100 0.50000000 0.60070600 1.0 S S12 1 0.01216000 0.76428900 0.16847400 1.0 S S13 1 0.48267000 0.74599200 0.83105700 1.0 S S14 1 0.51733000 0.74599200 0.33105700 1.0 S S15 1 0.98784000 0.76428900 0.66847400 1.0 S S16 1 0.98784000 0.23571100 0.66847400 1.0 S S17 1 0.51733000 0.25400800 0.33105700 1.0 S S18 1 0.48267000 0.25400800 0.83105700 1.0 S S19 1 0.01216000 0.23571100 0.16847400 1.0 S S20 1 0.49140800 0.00000000 0.07937100 1.0 S S21 1 0.01306200 0.50000000 0.91892500 1.0 S S22 1 0.98693800 0.50000000 0.41892500 1.0 S S23 1 0.50859200 0.00000000 0.57937100 1.0 S S24 1 0.46655000 0.50000000 0.08182100 1.0 S S25 1 0.05040800 0.00000000 0.91066000 1.0 S S26 1 0.94959200 0.00000000 0.41066000 1.0 S S27 1 0.53345000 0.50000000 0.58182100 1.0