# generated using pymatgen data_Cr5S8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.86830135 _cell_length_b 11.15587700 _cell_length_c 6.88926125 _cell_angle_alpha 91.16573057 _cell_angle_beta 119.89940352 _cell_angle_gamma 89.99997888 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr5S8 _chemical_formula_sum 'Cr10 S16' _cell_volume 457.48416178 _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 0.00003450 -0.00015631 0.00006999 1.0 Cr Cr1 1 0.50005555 0.50009932 0.00011110 1.0 Cr Cr2 1 0.00445351 0.73129251 0.00890802 1.0 Cr Cr3 1 0.99551588 0.26880397 0.99103377 1.0 Cr Cr4 1 0.49678264 0.76880270 0.99356329 1.0 Cr Cr5 1 0.50307885 0.23114679 0.00615770 1.0 Cr Cr6 1 0.47825147 0.74995987 0.50099253 1.0 Cr Cr7 1 0.02274006 0.74995987 0.50099153 1.0 Cr Cr8 1 0.52173549 0.25005281 0.49910082 1.0 Cr Cr9 1 0.97736533 0.25005281 0.49910082 1.0 S S10 1 0.15913717 0.14274211 0.31827534 1.0 S S11 1 0.83365853 0.37786731 0.66731905 1.0 S S12 1 0.16631531 0.62219619 0.33262861 1.0 S S13 1 0.65992067 0.64256642 0.31984133 1.0 S S14 1 0.34009651 0.35761788 0.68019301 1.0 S S15 1 0.66518906 0.12223626 0.33037711 1.0 S S16 1 0.33481619 0.87769728 0.66963038 1.0 S S17 1 0.17908686 0.62973981 0.83161716 1.0 S S18 1 0.65253130 0.62973981 0.83161716 1.0 S S19 1 0.82080235 0.37027506 0.16831571 1.0 S S20 1 0.34751236 0.37027506 0.16831571 1.0 S S21 1 0.15142417 0.12933865 0.82963563 1.0 S S22 1 0.67821146 0.12933865 0.82963563 1.0 S S23 1 0.84850337 0.87056625 0.17044880 1.0 S S24 1 0.32194644 0.87056625 0.17044880 1.0 S S25 1 0.84083698 0.85721866 0.68167597 1.0