# generated using pymatgen data_LuFe2SiC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65610300 _cell_length_b 5.52489009 _cell_length_c 6.71692600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.32193688 _symmetry_Int_Tables_number 1 _chemical_formula_structural LuFe2SiC _chemical_formula_sum 'Lu2 Fe4 Si2 C2' _cell_volume 128.03678898 _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 Lu Lu0 1 0.45322400 0.90644800 0.25000000 1.0 Lu Lu1 1 0.54677600 0.09355200 0.75000000 1.0 Fe Fe2 1 0.16527100 0.33054300 0.06133000 1.0 Fe Fe3 1 0.83472900 0.66945800 0.93867000 1.0 Fe Fe4 1 0.83472900 0.66945800 0.56133000 1.0 Fe Fe5 1 0.16527100 0.33054300 0.43867000 1.0 Si Si6 1 0.73258500 0.46517100 0.25000000 1.0 Si Si7 1 0.26741500 0.53482900 0.75000000 1.0 C C8 1 0.00000000 0.00000000 0.00000000 1.0 C C9 1 0.00000000 0.00000000 0.50000000 1.0