# generated using pymatgen data_Cr5S8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.78481527 _cell_length_b 11.20697281 _cell_length_c 6.79279478 _cell_angle_alpha 91.42377542 _cell_angle_beta 119.96114375 _cell_angle_gamma 89.99998104 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr5S8 _chemical_formula_sum 'Cr10 S16' _cell_volume 447.29773979 _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 -0.00005202 0.99814209 -0.00010403 1.0 Cr Cr1 1 0.50011069 0.49733556 0.00022138 1.0 Cr Cr2 1 0.00911829 0.73186663 0.01823659 1.0 Cr Cr3 1 0.99279672 0.26612352 0.98559544 1.0 Cr Cr4 1 0.49237694 0.76655227 0.98475288 1.0 Cr Cr5 1 0.50189012 0.23699606 0.00378023 1.0 Cr Cr6 1 0.47406309 0.74957928 0.50066752 1.0 Cr Cr7 1 0.02660443 0.74957928 0.50066652 1.0 Cr Cr8 1 0.52962856 0.25172974 0.50358251 1.0 Cr Cr9 1 0.97395395 0.25172974 0.50358251 1.0 S S10 1 0.16027849 0.14432957 0.32055798 1.0 S S11 1 0.83271280 0.38390530 0.66542760 1.0 S S12 1 0.17068200 0.61681538 0.34136300 1.0 S S13 1 0.65991739 0.64359910 0.31983378 1.0 S S14 1 0.33795383 0.35671588 0.67590865 1.0 S S15 1 0.66394604 0.12309939 0.32789208 1.0 S S16 1 0.33064520 0.88195548 0.66128939 1.0 S S17 1 0.17801976 0.62758100 0.83200685 1.0 S S18 1 0.65398809 0.62758100 0.83200685 1.0 S S19 1 0.82480257 0.37164821 0.17175034 1.0 S S20 1 0.34694677 0.37164821 0.17175034 1.0 S S21 1 0.15260583 0.12715919 0.82862128 1.0 S S22 1 0.67601545 0.12715919 0.82862128 1.0 S S23 1 0.84678973 0.87149743 0.17052155 1.0 S S24 1 0.32373282 0.87149743 0.17052155 1.0 S S25 1 0.84047446 0.85417206 0.68094893 1.0