# generated using pymatgen data_Gd3TiCrC6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.29208504 _cell_length_b 8.29209361 _cell_length_c 5.09538264 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00020368 _symmetry_Int_Tables_number 1 _chemical_formula_structural Gd3TiCrC6 _chemical_formula_sum 'Gd6 Ti2 Cr2 C12' _cell_volume 303.41321135 _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 0.61485923 0.68307002 0.75000000 1.0 Gd Gd1 1 0.93178136 0.61485589 0.25000000 1.0 Gd Gd2 1 0.68307596 0.06821207 0.25000000 1.0 Gd Gd3 1 0.31692404 0.93178793 0.75000000 1.0 Gd Gd4 1 0.06821864 0.38514411 0.75000000 1.0 Gd Gd5 1 0.38514077 0.31692998 0.25000000 1.0 Ti Ti6 1 0.00000000 0.00000000 0.50000000 1.0 Ti Ti7 1 0.00000000 0.00000000 0.00000000 1.0 Cr Cr8 1 0.66667145 0.33333459 0.75000000 1.0 Cr Cr9 1 0.33332855 0.66666541 0.25000000 1.0 C C10 1 0.96086258 0.76356041 0.75000000 1.0 C C11 1 0.19730289 0.96086211 0.25000000 1.0 C C12 1 0.76355295 0.80268752 0.25000000 1.0 C C13 1 0.23644705 0.19731248 0.75000000 1.0 C C14 1 0.80269711 0.03913789 0.75000000 1.0 C C15 1 0.03913742 0.23643959 0.25000000 1.0 C C16 1 0.85882739 0.57319241 0.75000000 1.0 C C17 1 0.28563024 0.85882571 0.25000000 1.0 C C18 1 0.57318260 0.71436342 0.25000000 1.0 C C19 1 0.42681740 0.28563658 0.75000000 1.0 C C20 1 0.14117261 0.42680759 0.25000000 1.0 C C21 1 0.71436976 0.14117429 0.75000000 1.0