# generated using pymatgen data_Sm3CrS6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.84504527 _cell_length_b 13.53277870 _cell_length_c 16.13331053 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm3CrS6 _chemical_formula_sum 'Sm12 Cr4 S24' _cell_volume 839.48304736 _cell_formula_units_Z 4 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 Sm Sm0 1 0.00000000 0.55152824 0.28077627 1.0 Sm Sm1 1 -0.00000000 0.44847176 0.71922373 1.0 Sm Sm2 1 0.50000000 0.94847176 0.78077627 1.0 Sm Sm3 1 0.50000000 0.05152824 0.21922373 1.0 Sm Sm4 1 -0.00000000 0.75820593 0.09698530 1.0 Sm Sm5 1 0.00000000 0.24179407 0.90301470 1.0 Sm Sm6 1 0.50000000 0.74179407 0.59698530 1.0 Sm Sm7 1 0.50000000 0.25820593 0.40301470 1.0 Sm Sm8 1 0.00000000 0.31982174 0.14796619 1.0 Sm Sm9 1 0.00000000 0.68017826 0.85203381 1.0 Sm Sm10 1 0.50000000 0.18017826 0.64796619 1.0 Sm Sm11 1 0.50000000 0.81982174 0.35203381 1.0 Cr Cr12 1 0.00000000 0.00000000 0.50000000 1.0 Cr Cr13 1 0.50000000 0.50000000 0.00000000 1.0 Cr Cr14 1 0.00000000 0.00000000 0.00000000 1.0 Cr Cr15 1 0.50000000 0.50000000 0.50000000 1.0 S S16 1 0.00000000 0.12158268 0.10452494 1.0 S S17 1 -0.00000000 0.87841732 0.89547506 1.0 S S18 1 0.50000000 0.37841732 0.60452494 1.0 S S19 1 0.50000000 0.62158268 0.39547506 1.0 S S20 1 0.00000000 0.18894100 0.28960005 1.0 S S21 1 -0.00000000 0.81105900 0.71039995 1.0 S S22 1 0.50000000 0.31105900 0.78960005 1.0 S S23 1 0.50000000 0.68894100 0.21039995 1.0 S S24 1 -0.00000000 0.17751706 0.51988065 1.0 S S25 1 0.00000000 0.82248294 0.48011935 1.0 S S26 1 0.50000000 0.32248294 0.01988065 1.0 S S27 1 0.50000000 0.67751706 0.98011935 1.0 S S28 1 -0.00000000 0.52303130 0.09622134 1.0 S S29 1 0.00000000 0.47696870 0.90377866 1.0 S S30 1 0.50000000 0.97696870 0.59622134 1.0 S S31 1 0.50000000 0.02303130 0.40377866 1.0 S S32 1 -0.00000000 0.10165090 0.75409065 1.0 S S33 1 0.00000000 0.89834910 0.24590935 1.0 S S34 1 0.50000000 0.39834910 0.25409065 1.0 S S35 1 0.50000000 0.60165090 0.74590935 1.0 S S36 1 0.00000000 0.41941794 0.42677752 1.0 S S37 1 -0.00000000 0.58058206 0.57322248 1.0 S S38 1 0.50000000 0.08058206 0.92677752 1.0 S S39 1 0.50000000 0.91941794 0.07322248 1.0