# generated using pymatgen data_Mn2Cr13S20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.94423700 _cell_length_b 8.10831631 _cell_length_c 8.76805221 _cell_angle_alpha 102.40087512 _cell_angle_beta 104.95458445 _cell_angle_gamma 88.61048121 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2Cr13S20 _chemical_formula_sum 'Mn2 Cr13 S20' _cell_volume 532.63810043 _cell_formula_units_Z 1 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 Mn Mn0 1 0.30034000 0.29999900 0.70050500 1.0 Mn Mn1 1 0.69966000 0.70000100 0.29949500 1.0 Cr Cr2 1 0.10084700 0.10134600 0.89909400 1.0 Cr Cr3 1 0.50000000 0.50000000 0.50000000 1.0 Cr Cr4 1 0.89915300 0.89865400 0.10090600 1.0 Cr Cr5 1 0.13455400 0.61959000 0.06491100 1.0 Cr Cr6 1 0.53638400 0.01936100 0.66535500 1.0 Cr Cr7 1 0.93624000 0.41874300 0.26580600 1.0 Cr Cr8 1 0.33492000 0.81864200 0.86575700 1.0 Cr Cr9 1 0.73350100 0.21908100 0.46627100 1.0 Cr Cr10 1 0.06376000 0.58125700 0.73419400 1.0 Cr Cr11 1 0.46361600 0.98063900 0.33464500 1.0 Cr Cr12 1 0.86544600 0.38041000 0.93508900 1.0 Cr Cr13 1 0.26649900 0.78091900 0.53372900 1.0 Cr Cr14 1 0.66508000 0.18135800 0.13424300 1.0 S S15 1 0.19451800 0.48278800 0.50387600 1.0 S S16 1 0.98997800 0.28135300 0.70773300 1.0 S S17 1 0.79714200 0.07809800 0.90550900 1.0 S S18 1 0.59233300 0.88417900 0.10494000 1.0 S S19 1 0.39110900 0.68006300 0.30637600 1.0 S S20 1 0.60889100 0.31993700 0.69362400 1.0 S S21 1 0.40766700 0.11582100 0.89506000 1.0 S S22 1 0.20285800 0.92190200 0.09449100 1.0 S S23 1 0.01002200 0.71864700 0.29226700 1.0 S S24 1 0.80548200 0.51721200 0.49612400 1.0 S S25 1 0.67725300 0.44908900 0.09426200 1.0 S S26 1 0.47586100 0.24943100 0.29346500 1.0 S S27 1 0.27652000 0.04892900 0.49552000 1.0 S S28 1 0.07736800 0.85041300 0.69331700 1.0 S S29 1 0.87503300 0.64872200 0.89499600 1.0 S S30 1 0.12496700 0.35127800 0.10500400 1.0 S S31 1 0.92263200 0.14958700 0.30668300 1.0 S S32 1 0.72348000 0.95107100 0.50448000 1.0 S S33 1 0.52413900 0.75056900 0.70653500 1.0 S S34 1 0.32274700 0.55091100 0.90573800 1.0