# generated using pymatgen data_Re4As5S4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.03663726 _cell_length_b 7.03663726 _cell_length_c 7.03663726 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re4As5S4 _chemical_formula_sum 'Re4 As5 S4' _cell_volume 246.36584109 _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 Re Re0 1 0.40095319 0.40095319 0.40095319 1.0 Re Re1 1 0.40095319 0.40095319 0.79714142 1.0 Re Re2 1 0.40095319 0.79714142 0.40095319 1.0 Re Re3 1 0.79714142 0.40095319 0.40095319 1.0 As As4 1 -0.00000000 -0.00000000 -0.00000000 1.0 As As5 1 0.14413838 0.14413838 0.14413838 1.0 As As6 1 0.14413838 0.14413838 0.56758486 1.0 As As7 1 0.14413838 0.56758486 0.14413838 1.0 As As8 1 0.56758486 0.14413838 0.14413838 1.0 S S9 1 0.63102615 0.63102615 0.63102615 1.0 S S10 1 0.63102615 0.63102615 0.10692155 1.0 S S11 1 0.63102615 0.10692155 0.63102615 1.0 S S12 1 0.10692155 0.63102615 0.63102615 1.0