# generated using pymatgen data_Gd3Ti2MnSi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.48469886 _cell_length_b 8.48469886 _cell_length_c 5.84542800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000668 _symmetry_Int_Tables_number 1 _chemical_formula_structural Gd3Ti2MnSi3 _chemical_formula_sum 'Gd6 Ti4 Mn2 Si6' _cell_volume 364.43475150 _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 0.71352300 0.71352300 0.25000000 1.0 Gd Gd1 1 0.00000000 0.71352300 0.75000000 1.0 Gd Gd2 1 0.28647700 0.00000000 0.25000000 1.0 Gd Gd3 1 0.28647700 0.28647700 0.75000000 1.0 Gd Gd4 1 0.00000000 0.28647700 0.25000000 1.0 Gd Gd5 1 0.71352300 0.00000000 0.75000000 1.0 Ti Ti6 1 0.33333300 0.66666700 0.50000000 1.0 Ti Ti7 1 0.66666700 0.33333300 0.50000000 1.0 Ti Ti8 1 0.33333300 0.66666700 0.00000000 1.0 Ti Ti9 1 0.66666700 0.33333300 0.00000000 1.0 Mn Mn10 1 0.00000000 0.00000000 0.00000000 1.0 Mn Mn11 1 0.00000000 0.00000000 0.50000000 1.0 Si Si12 1 0.38194600 0.38194600 0.25000000 1.0 Si Si13 1 0.00000000 0.38194600 0.75000000 1.0 Si Si14 1 0.61805400 0.61805400 0.75000000 1.0 Si Si15 1 0.38194600 0.00000000 0.75000000 1.0 Si Si16 1 0.61805400 0.00000000 0.25000000 1.0 Si Si17 1 0.00000000 0.61805400 0.25000000 1.0