# generated using pymatgen data_Zr4CuS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.36662044 _cell_length_b 7.36662044 _cell_length_c 7.36662044 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4CuS8 _chemical_formula_sum 'Zr4 Cu1 S8' _cell_volume 282.67661619 _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 Zr Zr0 1 0.61838457 0.12720581 0.12720581 1.0 Zr Zr1 1 0.12720581 0.61838457 0.12720581 1.0 Zr Zr2 1 0.12720581 0.12720581 0.61838457 1.0 Zr Zr3 1 0.12720581 0.12720581 0.12720581 1.0 Cu Cu4 1 0.75000000 0.75000000 0.75000000 1.0 S S5 1 0.36808540 0.87730420 0.87730420 1.0 S S6 1 0.87730420 0.36808540 0.87730420 1.0 S S7 1 0.87730420 0.87730420 0.36808540 1.0 S S8 1 0.87730420 0.87730420 0.87730420 1.0 S S9 1 0.88380122 0.37206659 0.37206659 1.0 S S10 1 0.37206659 0.88380122 0.37206659 1.0 S S11 1 0.37206659 0.37206659 0.88380122 1.0 S S12 1 0.37206659 0.37206659 0.37206659 1.0