# generated using pymatgen data_Na(MnS2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.97344367 _cell_length_b 6.88161330 _cell_length_c 13.75229174 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na(MnS2)2 _chemical_formula_sum 'Na4 Mn8 S16' _cell_volume 565.31448521 _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 Na Na0 1 0.34804285 0.00000000 0.00000000 1.0 Na Na1 1 0.65195715 0.50000000 0.50000000 1.0 Na Na2 1 0.01655968 0.00000000 0.50000000 1.0 Na Na3 1 0.98344032 0.50000000 0.00000000 1.0 Mn Mn4 1 0.00040042 0.00000000 0.24817989 1.0 Mn Mn5 1 0.00040042 0.00000000 0.75182011 1.0 Mn Mn6 1 0.99959958 0.50000000 0.25182011 1.0 Mn Mn7 1 0.99959958 0.50000000 0.74817989 1.0 Mn Mn8 1 0.50000000 0.25000000 0.25000000 1.0 Mn Mn9 1 0.50000000 0.75000000 0.75000000 1.0 Mn Mn10 1 0.50000000 0.75000000 0.25000000 1.0 Mn Mn11 1 0.50000000 0.25000000 0.75000000 1.0 S S12 1 0.83286815 0.24973793 0.34812524 1.0 S S13 1 0.83286815 0.75026207 0.65187476 1.0 S S14 1 0.16713185 0.74973793 0.15187476 1.0 S S15 1 0.16713185 0.25026207 0.84812524 1.0 S S16 1 0.16713185 0.25026207 0.15187476 1.0 S S17 1 0.16713185 0.74973793 0.84812524 1.0 S S18 1 0.83286815 0.75026207 0.34812524 1.0 S S19 1 0.83286815 0.24973793 0.65187476 1.0 S S20 1 0.66383436 0.00000000 0.15423224 1.0 S S21 1 0.66383436 0.00000000 0.84576776 1.0 S S22 1 0.33616564 0.50000000 0.34576776 1.0 S S23 1 0.33616564 0.50000000 0.65423224 1.0 S S24 1 0.33463669 0.00000000 0.34526160 1.0 S S25 1 0.33463669 0.00000000 0.65473840 1.0 S S26 1 0.66536331 0.50000000 0.15473840 1.0 S S27 1 0.66536331 0.50000000 0.84526160 1.0