# generated using pymatgen data_Ba2YCu3S7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44467000 _cell_length_b 4.72127600 _cell_length_c 13.84390800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2YCu3S7 _chemical_formula_sum 'Ba2 Y1 Cu3 S7' _cell_volume 290.50767846 _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 0.50000000 0.81207400 1.0 Ba Ba1 1 0.50000000 0.50000000 0.18792600 1.0 Y Y2 1 0.50000000 0.50000000 0.50000000 1.0 Cu Cu3 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu4 1 0.00000000 0.00000000 0.66074900 1.0 Cu Cu5 1 0.00000000 0.00000000 0.33925100 1.0 S S6 1 0.50000000 0.00000000 0.62090500 1.0 S S7 1 0.50000000 0.00000000 0.37909500 1.0 S S8 1 0.00000000 0.00000000 0.84026800 1.0 S S9 1 0.00000000 0.00000000 0.15973200 1.0 S S10 1 0.00000000 0.50000000 0.00000000 1.0 S S11 1 0.00000000 0.50000000 0.62917000 1.0 S S12 1 0.00000000 0.50000000 0.37083000 1.0