# generated using pymatgen data_AlCr4CuS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.05739378 _cell_length_b 7.05739378 _cell_length_c 7.05739378 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCr4CuS8 _chemical_formula_sum 'Al1 Cr4 Cu1 S8' _cell_volume 248.55245288 _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 Al Al0 1 0.50000000 0.50000000 0.50000000 1.0 Cr Cr1 1 0.63580500 0.12139800 0.12139800 1.0 Cr Cr2 1 0.12139800 0.63580500 0.12139800 1.0 Cr Cr3 1 0.12139800 0.12139800 0.63580500 1.0 Cr Cr4 1 0.12139800 0.12139800 0.12139800 1.0 Cu Cu5 1 0.75000000 0.75000000 0.75000000 1.0 S S6 1 0.34886000 0.88371300 0.88371300 1.0 S S7 1 0.88371300 0.34886000 0.88371300 1.0 S S8 1 0.88371300 0.88371300 0.34886000 1.0 S S9 1 0.88371300 0.88371300 0.88371300 1.0 S S10 1 0.89867600 0.36710800 0.36710800 1.0 S S11 1 0.36710800 0.89867600 0.36710800 1.0 S S12 1 0.36710800 0.36710800 0.89867600 1.0 S S13 1 0.36710800 0.36710800 0.36710800 1.0