# generated using pymatgen data_Cr5S6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.94485126 _cell_length_b 5.94485126 _cell_length_c 11.46075500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999177 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr5S6 _chemical_formula_sum 'Cr10 S12' _cell_volume 350.77277821 _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 Cr Cr0 1 0.66666700 0.33333300 0.49572600 1.0 Cr Cr1 1 0.66666700 0.33333300 0.00427400 1.0 Cr Cr2 1 0.00000000 0.00000000 0.25000000 1.0 Cr Cr3 1 0.33333300 0.66666700 0.50427400 1.0 Cr Cr4 1 0.33333300 0.66666700 0.99572600 1.0 Cr Cr5 1 0.00000000 0.00000000 0.75000000 1.0 Cr Cr6 1 0.00000000 0.00000000 0.50000000 1.0 Cr Cr7 1 0.66666700 0.33333300 0.75000000 1.0 Cr Cr8 1 0.33333300 0.66666700 0.25000000 1.0 Cr Cr9 1 0.00000000 0.00000000 0.00000000 1.0 S S10 1 0.33930200 0.00724900 0.87634000 1.0 S S11 1 0.00724900 0.66794700 0.12366000 1.0 S S12 1 0.66794700 0.00724900 0.62366000 1.0 S S13 1 0.33930200 0.33205300 0.62366000 1.0 S S14 1 0.33205300 0.99275100 0.37634000 1.0 S S15 1 0.99275100 0.33205300 0.87634000 1.0 S S16 1 0.33205300 0.33930200 0.12366000 1.0 S S17 1 0.00724900 0.33930200 0.37634000 1.0 S S18 1 0.66069800 0.66794700 0.37634000 1.0 S S19 1 0.66069800 0.99275100 0.12366000 1.0 S S20 1 0.99275100 0.66069800 0.62366000 1.0 S S21 1 0.66794700 0.66069800 0.87634000 1.0