# generated using pymatgen data_Pr3CrFeC6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.28366960 _cell_length_b 8.28366845 _cell_length_c 5.24090671 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999655 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr3CrFeC6 _chemical_formula_sum 'Pr6 Cr2 Fe2 C12' _cell_volume 311.44585255 _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 0.61338496 0.68351083 0.75000000 1.0 Pr Pr1 1 0.92987614 0.61338496 0.25000000 1.0 Pr Pr2 1 0.68351083 0.07012386 0.25000000 1.0 Pr Pr3 1 0.31648917 0.92987614 0.75000000 1.0 Pr Pr4 1 0.07012386 0.38661504 0.75000000 1.0 Pr Pr5 1 0.38661504 0.31648917 0.25000000 1.0 Cr Cr6 1 0.00000000 0.00000000 0.50000000 1.0 Cr Cr7 1 0.00000000 0.00000000 0.00000000 1.0 Fe Fe8 1 0.66666700 0.33333300 0.75000000 1.0 Fe Fe9 1 0.33333300 0.66666700 0.25000000 1.0 C C10 1 0.95426885 0.76748126 0.75000000 1.0 C C11 1 0.18678759 0.95426885 0.25000000 1.0 C C12 1 0.76748126 0.81321241 0.25000000 1.0 C C13 1 0.23251874 0.18678759 0.75000000 1.0 C C14 1 0.81321241 0.04573115 0.75000000 1.0 C C15 1 0.04573115 0.23251874 0.25000000 1.0 C C16 1 0.86080262 0.57736732 0.75000000 1.0 C C17 1 0.28343429 0.86080262 0.25000000 1.0 C C18 1 0.57736732 0.71656571 0.25000000 1.0 C C19 1 0.42263268 0.28343429 0.75000000 1.0 C C20 1 0.13919738 0.42263268 0.25000000 1.0 C C21 1 0.71656571 0.13919738 0.75000000 1.0