# generated using pymatgen data_Cu11Sb4S13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.91107763 _cell_length_b 8.91107763 _cell_length_c 9.09942652 _cell_angle_alpha 69.30347459 _cell_angle_beta 69.30347459 _cell_angle_gamma 106.03879056 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu11Sb4S13 _chemical_formula_sum 'Cu11 Sb4 S13' _cell_volume 561.94478852 _cell_formula_units_Z 1 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 Cu Cu0 1 0.77848300 0.99747900 0.23161300 1.0 Cu Cu1 1 0.79453700 0.79453700 0.98458500 1.0 Cu Cu2 1 0.28905700 0.28905700 0.38858600 1.0 Cu Cu3 1 0.99747900 0.77848300 0.23161300 1.0 Cu Cu4 1 0.25004400 0.74450000 0.49349300 1.0 Cu Cu5 1 0.74450000 0.25004400 0.49349300 1.0 Cu Cu6 1 0.22831700 0.22831700 0.97664200 1.0 Cu Cu7 1 0.49105900 0.74533500 0.75635200 1.0 Cu Cu8 1 0.74533500 0.49105900 0.75635200 1.0 Cu Cu9 1 0.22089100 0.99569100 0.77441000 1.0 Cu Cu10 1 0.99569100 0.22089200 0.77441000 1.0 Sb Sb11 1 0.53296300 0.99645300 0.00788200 1.0 Sb Sb12 1 0.46792900 0.46792900 0.54469200 1.0 Sb Sb13 1 0.97495700 0.97495700 0.46872400 1.0 Sb Sb14 1 0.99645300 0.53296300 0.00788200 1.0 S S15 1 0.23353300 0.74853300 0.24841800 1.0 S S16 1 0.74853300 0.23353300 0.24841800 1.0 S S17 1 0.54159500 0.54159500 0.23336600 1.0 S S18 1 0.00209400 0.00209400 0.00222800 1.0 S S19 1 0.51846000 0.77796700 0.48493600 1.0 S S20 1 0.77796700 0.51846000 0.48493600 1.0 S S21 1 0.99168800 0.23334500 0.52498300 1.0 S S22 1 0.23334500 0.99168800 0.52498300 1.0 S S23 1 0.25255900 0.47648000 0.99809300 1.0 S S24 1 0.47648000 0.25255900 0.99809300 1.0 S S25 1 0.00351000 0.48558000 0.74865900 1.0 S S26 1 0.48558000 0.00351000 0.74865900 1.0 S S27 1 0.73696100 0.73696100 0.78350000 1.0