# generated using pymatgen data_LuTiFe11C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80517800 _cell_length_b 6.47968399 _cell_length_c 6.47968399 _cell_angle_alpha 97.65793746 _cell_angle_beta 111.76421331 _cell_angle_gamma 68.23578669 _symmetry_Int_Tables_number 1 _chemical_formula_structural LuTiFe11C _chemical_formula_sum 'Lu1 Ti1 Fe11 C1' _cell_volume 174.01203045 _cell_formula_units_Z 1 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 Lu Lu0 1 0.00759400 0.99240600 0.00759400 1.0 Ti Ti1 1 0.63430300 0.36569700 0.63430300 1.0 Fe Fe2 1 0.72398000 0.77602000 0.22398000 1.0 Fe Fe3 1 0.27821800 0.22178200 0.77821800 1.0 Fe Fe4 1 0.49800800 0.78189200 0.77790900 1.0 Fe Fe5 1 0.49800800 0.22209100 0.21810800 1.0 Fe Fe6 1 0.50016200 0.99765000 0.49917900 1.0 Fe Fe7 1 0.00136700 0.99765000 0.49917900 1.0 Fe Fe8 1 0.50016200 0.50082100 0.00235000 1.0 Fe Fe9 1 0.00136700 0.50082100 0.00235000 1.0 Fe Fe10 1 0.35563700 0.64436300 0.35563700 1.0 Fe Fe11 1 0.99984800 0.35792200 0.35761800 1.0 Fe Fe12 1 0.99984800 0.64238200 0.64207800 1.0 C C13 1 0.50149800 0.99850200 0.00149800 1.0