# generated using pymatgen data_Na7(Cu6S5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.78717200 _cell_length_b 16.16217500 _cell_length_c 16.22885257 _cell_angle_alpha 89.62609389 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na7(Cu6S5)2 _chemical_formula_sum 'Na14 Cu24 S20' _cell_volume 993.32965639 _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 Na Na0 1 0.50000000 0.50000000 0.00000000 1.0 Na Na1 1 0.00000000 0.31531300 0.89583600 1.0 Na Na2 1 0.00000000 0.68468700 0.10416400 1.0 Na Na3 1 0.00000000 0.11901400 0.29089300 1.0 Na Na4 1 0.00000000 0.88098600 0.70910700 1.0 Na Na5 1 0.50000000 0.28058000 0.40653700 1.0 Na Na6 1 0.50000000 0.71942000 0.59346300 1.0 Na Na7 1 0.50000000 0.00000000 0.00000000 1.0 Na Na8 1 0.00000000 0.19760800 0.08504900 1.0 Na Na9 1 0.00000000 0.80239200 0.91495100 1.0 Na Na10 1 0.00000000 0.39403300 0.69598300 1.0 Na Na11 1 0.00000000 0.60596700 0.30401700 1.0 Na Na12 1 0.50000000 0.20254800 0.60660300 1.0 Na Na13 1 0.50000000 0.79745200 0.39339700 1.0 Cu Cu14 1 0.50000000 0.50879300 0.58030800 1.0 Cu Cu15 1 0.50000000 0.49120700 0.41969200 1.0 Cu Cu16 1 0.00000000 0.58796100 0.50135700 1.0 Cu Cu17 1 0.00000000 0.41203900 0.49864300 1.0 Cu Cu18 1 0.50000000 0.55269200 0.73289400 1.0 Cu Cu19 1 0.50000000 0.44730800 0.26710600 1.0 Cu Cu20 1 0.00000000 0.67634800 0.75204400 1.0 Cu Cu21 1 0.00000000 0.32365200 0.24795600 1.0 Cu Cu22 1 0.50000000 0.65076500 0.86569700 1.0 Cu Cu23 1 0.50000000 0.34923500 0.13430300 1.0 Cu Cu24 1 0.00000000 0.52367500 0.84711100 1.0 Cu Cu25 1 0.00000000 0.47632500 0.15288900 1.0 Cu Cu26 1 0.50000000 0.07439500 0.44910000 1.0 Cu Cu27 1 0.50000000 0.92560500 0.55090000 1.0 Cu Cu28 1 0.00000000 0.95370700 0.43424200 1.0 Cu Cu29 1 0.00000000 0.04629300 0.56575800 1.0 Cu Cu30 1 0.50000000 0.98667000 0.19663700 1.0 Cu Cu31 1 0.50000000 0.01333000 0.80336300 1.0 Cu Cu32 1 0.00000000 0.91269100 0.27782300 1.0 Cu Cu33 1 0.00000000 0.08730900 0.72217700 1.0 Cu Cu34 1 0.50000000 0.81281100 0.19421600 1.0 Cu Cu35 1 0.50000000 0.18718900 0.80578400 1.0 Cu Cu36 1 0.00000000 0.88847500 0.10748500 1.0 Cu Cu37 1 0.00000000 0.11152500 0.89251500 1.0 S S38 1 0.00000000 0.57782900 0.64584100 1.0 S S39 1 0.00000000 0.42217100 0.35415900 1.0 S S40 1 0.50000000 0.36970000 0.56201600 1.0 S S41 1 0.50000000 0.63030000 0.43798400 1.0 S S42 1 0.50000000 0.44381600 0.82456800 1.0 S S43 1 0.50000000 0.55618400 0.17543200 1.0 S S44 1 0.50000000 0.75684200 0.76756600 1.0 S S45 1 0.50000000 0.24315800 0.23243400 1.0 S S46 1 0.00000000 0.62650100 0.94188600 1.0 S S47 1 0.00000000 0.37349900 0.05811400 1.0 S S48 1 0.50000000 0.97777600 0.34419600 1.0 S S49 1 0.50000000 0.02222400 0.65580400 1.0 S S50 1 0.00000000 0.15337900 0.47148000 1.0 S S51 1 0.00000000 0.84662100 0.52852000 1.0 S S52 1 0.00000000 0.02927400 0.13558300 1.0 S S53 1 0.00000000 0.97072600 0.86441700 1.0 S S54 1 0.00000000 0.77350900 0.26278900 1.0 S S55 1 0.00000000 0.22649100 0.73721100 1.0 S S56 1 0.50000000 0.17445800 0.94676700 1.0 S S57 1 0.50000000 0.82554200 0.05323300 1.0