# generated using pymatgen data_Na2(ReS2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.30783325 _cell_length_b 9.30783325 _cell_length_c 11.56337787 _cell_angle_alpha 87.19736812 _cell_angle_beta 87.19736812 _cell_angle_gamma 62.67484261 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2(ReS2)3 _chemical_formula_sum 'Na8 Re12 S24' _cell_volume 888.55713408 _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 0.58460080 0.41539920 0.25000000 1.0 Na Na1 1 0.41539920 0.58460080 0.75000000 1.0 Na Na2 1 0.21605376 0.78394624 0.25000000 1.0 Na Na3 1 0.78394624 0.21605376 0.75000000 1.0 Na Na4 1 0.35978286 0.89347531 0.99305737 1.0 Na Na5 1 0.10652469 0.64021714 0.50694263 1.0 Na Na6 1 0.64021714 0.10652469 0.00694263 1.0 Na Na7 1 0.89347531 0.35978286 0.49305737 1.0 Re Re8 1 0.59550857 0.80847766 0.58797670 1.0 Re Re9 1 0.19152234 0.40449143 0.91202330 1.0 Re Re10 1 0.40449143 0.19152234 0.41202330 1.0 Re Re11 1 0.80847766 0.59550857 0.08797670 1.0 Re Re12 1 0.52167970 0.88252896 0.36926049 1.0 Re Re13 1 0.11747104 0.47832030 0.13073951 1.0 Re Re14 1 0.47832030 0.11747104 0.63073951 1.0 Re Re15 1 0.88252896 0.52167970 0.86926049 1.0 Re Re16 1 0.70029151 0.98754098 0.46747530 1.0 Re Re17 1 0.01245902 0.29970849 0.03252470 1.0 Re Re18 1 0.29970849 0.01245902 0.53252470 1.0 Re Re19 1 0.98754098 0.70029151 0.96747530 1.0 S S20 1 0.75094137 0.92292206 0.66904905 1.0 S S21 1 0.07707794 0.24905863 0.83095095 1.0 S S22 1 0.24905863 0.07707794 0.33095095 1.0 S S23 1 0.92292206 0.75094137 0.16904905 1.0 S S24 1 0.58313852 0.27232693 0.50846602 1.0 S S25 1 0.72767307 0.41686148 0.99153398 1.0 S S26 1 0.41686148 0.72767307 0.49153398 1.0 S S27 1 0.27232693 0.58313852 0.00846602 1.0 S S28 1 0.61693409 0.05957428 0.26889435 1.0 S S29 1 0.94042572 0.38306591 0.23110565 1.0 S S30 1 0.38306591 0.94042572 0.73110565 1.0 S S31 1 0.05957428 0.61693409 0.76889435 1.0 S S32 1 0.79213830 0.70328078 0.43029619 1.0 S S33 1 0.29671922 0.20786170 0.06970381 1.0 S S34 1 0.20786170 0.29671922 0.56970381 1.0 S S35 1 0.70328078 0.79213830 0.93029619 1.0 S S36 1 0.72665180 0.54285859 0.69625896 1.0 S S37 1 0.45714141 0.27334820 0.80374104 1.0 S S38 1 0.27334820 0.45714141 0.30374104 1.0 S S39 1 0.54285859 0.72665180 0.19625896 1.0 S S40 1 0.96615181 0.96945017 0.42340055 1.0 S S41 1 0.03054983 0.03384819 0.07659945 1.0 S S42 1 0.03384819 0.03054983 0.57659945 1.0 S S43 1 0.96945017 0.96615181 0.92340055 1.0