# generated using pymatgen data_Ba4Cu11(Te4S)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35640700 _cell_length_b 9.67995500 _cell_length_c 14.24103488 _cell_angle_alpha 89.97990368 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba4Cu11(Te4S)2 _chemical_formula_sum 'Ba4 Cu11 Te8 S2' _cell_volume 600.54189339 _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 Ba Ba0 1 0.50000000 0.47762500 0.66424600 1.0 Ba Ba1 1 0.50000000 0.52453800 0.33976300 1.0 Ba Ba2 1 0.50000000 0.97654600 0.84272700 1.0 Ba Ba3 1 0.50000000 0.02474700 0.15747200 1.0 Cu Cu4 1 0.50000000 0.11815100 0.59203400 1.0 Cu Cu5 1 0.50000000 0.88121400 0.40840200 1.0 Cu Cu6 1 0.50000000 0.60990400 0.90652700 1.0 Cu Cu7 1 0.50000000 0.38167100 0.09253100 1.0 Cu Cu8 1 0.00000000 0.24909600 0.51376500 1.0 Cu Cu9 1 0.00000000 0.75127400 0.48656000 1.0 Cu Cu10 1 0.00000000 0.75154500 0.98733600 1.0 Cu Cu11 1 0.00000000 0.25462500 0.00419500 1.0 Cu Cu12 1 0.00000000 0.52305400 0.08263300 1.0 Cu Cu13 1 0.00000000 0.97541100 0.58978400 1.0 Cu Cu14 1 0.00000000 0.02511900 0.41075200 1.0 Te Te15 1 0.00000000 0.19326700 0.69960900 1.0 Te Te16 1 0.00000000 0.80784700 0.30075700 1.0 Te Te17 1 0.00000000 0.68643300 0.80824300 1.0 Te Te18 1 0.00000000 0.30924200 0.19708700 1.0 Te Te19 1 0.50000000 0.33188500 0.91114800 1.0 Te Te20 1 0.50000000 0.67587900 0.09195000 1.0 Te Te21 1 0.50000000 0.82246900 0.59337500 1.0 Te Te22 1 0.50000000 0.17741900 0.40635200 1.0 S S23 1 0.00000000 0.50009800 0.50047300 1.0 S S24 1 0.00000000 0.99835300 0.00236700 1.0