# generated using pymatgen data_Li10Cu4S9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.59163000 _cell_length_b 11.59163000 _cell_length_c 5.65913900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li10Cu4S9 _chemical_formula_sum 'Li20 Cu8 S18' _cell_volume 760.39522605 _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 0.14861200 0.31502100 0.21539000 1.0 Li Li1 1 0.85138800 0.31502100 0.21539000 1.0 Li Li2 1 0.81502100 0.35138800 0.71539000 1.0 Li Li3 1 0.18497900 0.35138800 0.71539000 1.0 Li Li4 1 0.00000000 0.50000000 0.17353600 1.0 Li Li5 1 0.00000000 0.50000000 0.67353600 1.0 Li Li6 1 0.81502100 0.64861200 0.71539000 1.0 Li Li7 1 0.18497900 0.64861200 0.71539000 1.0 Li Li8 1 0.85138800 0.68497900 0.21539000 1.0 Li Li9 1 0.14861200 0.68497900 0.21539000 1.0 Li Li10 1 0.35138800 0.81502100 0.28461000 1.0 Li Li11 1 0.64861200 0.81502100 0.28461000 1.0 Li Li12 1 0.31502100 0.85138800 0.78461000 1.0 Li Li13 1 0.68497900 0.85138800 0.78461000 1.0 Li Li14 1 0.50000000 0.00000000 0.82646400 1.0 Li Li15 1 0.50000000 0.00000000 0.32646400 1.0 Li Li16 1 0.68497900 0.14861200 0.78461000 1.0 Li Li17 1 0.31502100 0.14861200 0.78461000 1.0 Li Li18 1 0.35138800 0.18497900 0.28461000 1.0 Li Li19 1 0.64861200 0.18497900 0.28461000 1.0 Cu Cu20 1 0.50000000 0.34555300 0.75641500 1.0 Cu Cu21 1 0.65444700 0.50000000 0.24358500 1.0 Cu Cu22 1 0.34555300 0.50000000 0.24358500 1.0 Cu Cu23 1 0.50000000 0.65444700 0.75641500 1.0 Cu Cu24 1 0.00000000 0.84555300 0.74358500 1.0 Cu Cu25 1 0.84555300 0.00000000 0.25641500 1.0 Cu Cu26 1 0.15444700 0.00000000 0.25641500 1.0 Cu Cu27 1 0.00000000 0.15444700 0.74358500 1.0 S S28 1 0.33970500 0.33970500 0.00000000 1.0 S S29 1 0.66029500 0.33970500 0.00000000 1.0 S S30 1 0.00000000 0.33324000 0.92422400 1.0 S S31 1 0.50000000 0.50000000 0.50000000 1.0 S S32 1 0.83324000 0.50000000 0.42422400 1.0 S S33 1 0.16676000 0.50000000 0.42422400 1.0 S S34 1 0.00000000 0.66676000 0.92422400 1.0 S S35 1 0.33970500 0.66029500 0.00000000 1.0 S S36 1 0.66029500 0.66029500 0.00000000 1.0 S S37 1 0.83970500 0.83970500 0.50000000 1.0 S S38 1 0.16029500 0.83970500 0.50000000 1.0 S S39 1 0.50000000 0.83324000 0.57577600 1.0 S S40 1 0.66676000 0.00000000 0.07577600 1.0 S S41 1 0.00000000 0.00000000 0.00000000 1.0 S S42 1 0.33324000 0.00000000 0.07577600 1.0 S S43 1 0.50000000 0.16676000 0.57577600 1.0 S S44 1 0.83970500 0.16029500 0.50000000 1.0 S S45 1 0.16029500 0.16029500 0.50000000 1.0