# generated using pymatgen data_Li7(Cu6S5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.75458800 _cell_length_b 14.98176400 _cell_length_c 15.44943948 _cell_angle_alpha 87.54226969 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li7(Cu6S5)2 _chemical_formula_sum 'Li14 Cu24 S20' _cell_volume 868.23699791 _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 Li Li0 1 0.50000000 0.00000000 0.00000000 1.0 Li Li1 1 0.00000000 0.87564500 0.70543900 1.0 Li Li2 1 0.00000000 0.80021300 0.92097100 1.0 Li Li3 1 0.50000000 0.79838000 0.38474600 1.0 Li Li4 1 0.50000000 0.72523300 0.59885200 1.0 Li Li5 1 0.00000000 0.68488500 0.10289400 1.0 Li Li6 1 0.00000000 0.60298700 0.30368300 1.0 Li Li7 1 0.50000000 0.50000000 0.00000000 1.0 Li Li8 1 0.00000000 0.39701300 0.69631700 1.0 Li Li9 1 0.00000000 0.31511500 0.89710600 1.0 Li Li10 1 0.50000000 0.27476700 0.40114800 1.0 Li Li11 1 0.50000000 0.20162000 0.61525400 1.0 Li Li12 1 0.00000000 0.19978700 0.07902900 1.0 Li Li13 1 0.00000000 0.12435500 0.29456100 1.0 Cu Cu14 1 0.50000000 0.00457500 0.19461400 1.0 Cu Cu15 1 0.00000000 0.94784300 0.43452600 1.0 Cu Cu16 1 0.50000000 0.91615300 0.55360800 1.0 Cu Cu17 1 0.00000000 0.91348000 0.26998100 1.0 Cu Cu18 1 0.00000000 0.88677000 0.09464500 1.0 Cu Cu19 1 0.50000000 0.80363300 0.19143500 1.0 Cu Cu20 1 0.00000000 0.68597200 0.75304800 1.0 Cu Cu21 1 0.50000000 0.65800600 0.87040100 1.0 Cu Cu22 1 0.00000000 0.60220100 0.49910000 1.0 Cu Cu23 1 0.50000000 0.55103200 0.73842700 1.0 Cu Cu24 1 0.00000000 0.51537500 0.85647700 1.0 Cu Cu25 1 0.50000000 0.51045300 0.58099400 1.0 Cu Cu26 1 0.50000000 0.48954700 0.41900600 1.0 Cu Cu27 1 0.00000000 0.48462500 0.14352300 1.0 Cu Cu28 1 0.50000000 0.44896800 0.26157300 1.0 Cu Cu29 1 0.00000000 0.39779900 0.50090000 1.0 Cu Cu30 1 0.50000000 0.34199400 0.12959900 1.0 Cu Cu31 1 0.00000000 0.31402800 0.24695200 1.0 Cu Cu32 1 0.50000000 0.19636700 0.80856500 1.0 Cu Cu33 1 0.00000000 0.11323000 0.90535500 1.0 Cu Cu34 1 0.00000000 0.08652000 0.73001900 1.0 Cu Cu35 1 0.50000000 0.08384700 0.44639200 1.0 Cu Cu36 1 0.00000000 0.05215700 0.56547400 1.0 Cu Cu37 1 0.50000000 0.99542500 0.80538600 1.0 S S38 1 0.00000000 0.96417700 0.87730300 1.0 S S39 1 0.50000000 0.97864000 0.34362900 1.0 S S40 1 0.00000000 0.83037300 0.53363100 1.0 S S41 1 0.50000000 0.81796100 0.04331000 1.0 S S42 1 0.50000000 0.77324200 0.76359100 1.0 S S43 1 0.00000000 0.76392200 0.26684600 1.0 S S44 1 0.00000000 0.62767400 0.95052700 1.0 S S45 1 0.50000000 0.63873500 0.42727000 1.0 S S46 1 0.00000000 0.58148700 0.64748600 1.0 S S47 1 0.50000000 0.56945300 0.16791500 1.0 S S48 1 0.50000000 0.43054700 0.83208500 1.0 S S49 1 0.00000000 0.41851300 0.35251400 1.0 S S50 1 0.50000000 0.36126500 0.57273000 1.0 S S51 1 0.00000000 0.37232600 0.04947300 1.0 S S52 1 0.00000000 0.23607800 0.73315400 1.0 S S53 1 0.50000000 0.22675800 0.23640900 1.0 S S54 1 0.50000000 0.18203900 0.95669000 1.0 S S55 1 0.00000000 0.16962700 0.46636900 1.0 S S56 1 0.50000000 0.02136000 0.65637100 1.0 S S57 1 0.00000000 0.03582300 0.12269700 1.0