# generated using pymatgen data_Gd3CrRuC6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.27917540 _cell_length_b 8.27917476 _cell_length_c 5.05859012 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999140 _symmetry_Int_Tables_number 1 _chemical_formula_structural Gd3CrRuC6 _chemical_formula_sum 'Gd6 Cr2 Ru2 C12' _cell_volume 300.28545310 _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 Gd Gd0 1 0.62199205 0.68731777 0.75000000 1.0 Gd Gd1 1 0.93467528 0.62199205 0.25000000 1.0 Gd Gd2 1 0.68731777 0.06532472 0.25000000 1.0 Gd Gd3 1 0.31268223 0.93467528 0.75000000 1.0 Gd Gd4 1 0.06532472 0.37800795 0.75000000 1.0 Gd Gd5 1 0.37800795 0.31268223 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 Ru Ru8 1 0.66666700 0.33333300 0.75000000 1.0 Ru Ru9 1 0.33333300 0.66666700 0.25000000 1.0 C C10 1 0.96136609 0.77538891 0.75000000 1.0 C C11 1 0.18597818 0.96136609 0.25000000 1.0 C C12 1 0.77538891 0.81402182 0.25000000 1.0 C C13 1 0.22461109 0.18597818 0.75000000 1.0 C C14 1 0.81402182 0.03863391 0.75000000 1.0 C C15 1 0.03863391 0.22461109 0.25000000 1.0 C C16 1 0.87352822 0.58655392 0.75000000 1.0 C C17 1 0.28697330 0.87352822 0.25000000 1.0 C C18 1 0.58655392 0.71302670 0.25000000 1.0 C C19 1 0.41344608 0.28697330 0.75000000 1.0 C C20 1 0.12647178 0.41344608 0.25000000 1.0 C C21 1 0.71302670 0.12647178 0.75000000 1.0