# generated using pymatgen data_Pr6RuRhCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.21554405 _cell_length_b 10.21553419 _cell_length_c 10.22016077 _cell_angle_alpha 109.60919967 _cell_angle_beta 109.60934353 _cell_angle_gamma 109.17290875 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr6RuRhCl6 _chemical_formula_sum 'Pr12 Ru2 Rh2 Cl12' _cell_volume 821.24192453 _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 Pr Pr0 1 0.47784467 0.48678996 0.24034327 1.0 Pr Pr1 1 0.74642805 0.23747850 0.25966809 1.0 Pr Pr2 1 0.74506547 0.00768918 0.48630557 1.0 Pr Pr3 1 0.24123901 0.47865978 0.48632922 1.0 Pr Pr4 1 0.26252250 0.75357195 0.24033291 1.0 Pr Pr5 1 0.02134022 0.25875999 0.01367078 1.0 Pr Pr6 1 0.01321004 0.02215533 0.25965673 1.0 Pr Pr7 1 0.49230982 0.75493353 0.01369443 1.0 Pr Pr8 1 0.48928040 0.23926718 0.47854466 1.0 Pr Pr9 1 0.01138306 0.48861794 0.75000100 1.0 Pr Pr10 1 0.26073282 0.01072060 0.02145634 1.0 Pr Pr11 1 0.23862764 0.26137036 0.74999900 1.0 Ru Ru12 1 0.24928966 0.25071034 0.25000000 1.0 Ru Ru13 1 0.50073493 0.99926607 0.25000000 1.0 Rh Rh14 1 0.00035858 0.25037038 0.50074860 1.0 Rh Rh15 1 0.24962962 0.49964142 0.99925240 1.0 Cl Cl16 1 0.24977674 0.75153052 0.74767148 1.0 Cl Cl17 1 0.50387293 0.50210958 0.75233513 1.0 Cl Cl18 1 0.99384795 0.74644553 0.99638595 1.0 Cl Cl19 1 0.74846848 0.25022426 0.75232752 1.0 Cl Cl20 1 0.99789042 0.99612507 0.74766387 1.0 Cl Cl21 1 0.25007145 0.99746700 0.50359810 1.0 Cl Cl22 1 0.75355447 0.50615205 0.50361405 1.0 Cl Cl23 1 0.50253300 0.24992855 0.99640190 1.0 Cl Cl24 1 0.75230795 0.74769105 0.25000000 1.0 Cl Cl25 1 0.74672110 0.99672928 0.99347720 1.0 Cl Cl26 1 0.99768829 0.50231271 0.25000000 1.0 Cl Cl27 1 0.50327072 0.75327890 0.50652280 1.0