# generated using pymatgen data_RbScCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.31175768 _cell_length_b 7.31174503 _cell_length_c 5.89839408 _cell_angle_alpha 90.00001326 _cell_angle_beta 89.99993037 _cell_angle_gamma 120.00005087 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbScCl3 _chemical_formula_sum 'Rb2 Sc2 Cl6' _cell_volume 273.09077018 _cell_formula_units_Z 2 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 0.33333219 0.66666680 0.75000058 1.0 Rb Rb1 1 0.66666781 0.33333320 0.24999942 1.0 Sc Sc2 1 -0.00000000 -0.00000000 0.00000000 1.0 Sc Sc3 1 -0.00000000 -0.00000000 0.50000000 1.0 Cl Cl4 1 0.16794803 0.33589761 0.25000003 1.0 Cl Cl5 1 0.83205197 0.66410239 0.74999997 1.0 Cl Cl6 1 0.66410181 0.83205097 0.25000084 1.0 Cl Cl7 1 0.33589819 0.16794903 0.74999916 1.0 Cl Cl8 1 0.16794866 0.83205134 0.25000006 1.0 Cl Cl9 1 0.83205134 0.16794866 0.74999994 1.0