# generated using pymatgen data_Rb4ScReCl12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.07243118 _cell_length_b 7.07243118 _cell_length_c 10.47309891 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.03517185 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb4ScReCl12 _chemical_formula_sum 'Rb4 Sc1 Re1 Cl12' _cell_volume 523.85679803 _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 Rb Rb0 1 0.50000000 0.00000000 0.78162697 1.0 Rb Rb1 1 0.00000000 0.50000000 0.21837303 1.0 Rb Rb2 1 0.50000000 0.00000000 0.21837303 1.0 Rb Rb3 1 0.00000000 0.50000000 0.78162697 1.0 Sc Sc4 1 0.00000000 0.00000000 0.00000000 1.0 Re Re5 1 0.50000000 0.50000000 0.50000000 1.0 Cl Cl6 1 0.00000000 0.00000000 0.76010845 1.0 Cl Cl7 1 0.50000000 0.50000000 0.27490227 1.0 Cl Cl8 1 0.73171180 0.73171180 0.50000000 1.0 Cl Cl9 1 0.24808079 0.24808079 0.00000000 1.0 Cl Cl10 1 0.73167600 0.26832400 0.50000000 1.0 Cl Cl11 1 0.24794047 0.75205953 0.00000000 1.0 Cl Cl12 1 0.00000000 0.00000000 0.23989155 1.0 Cl Cl13 1 0.50000000 0.50000000 0.72509773 1.0 Cl Cl14 1 0.26828820 0.26828820 0.50000000 1.0 Cl Cl15 1 0.75191921 0.75191921 0.00000000 1.0 Cl Cl16 1 0.26832400 0.73167600 0.50000000 1.0 Cl Cl17 1 0.75205953 0.24794047 0.00000000 1.0