# generated using pymatgen data_Fe3Si6Tc6Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.90513824 _cell_length_b 6.90513858 _cell_length_c 4.76323247 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001264 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe3Si6Tc6Ni _chemical_formula_sum 'Fe3 Si6 Tc6 Ni1' _cell_volume 196.68766780 _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 Fe Fe0 1 0.66666700 0.33333300 0.00000000 1.0 Fe Fe1 1 0.66666700 0.33333300 0.50000000 1.0 Fe Fe2 1 0.33333300 0.66666700 0.00000000 1.0 Si Si3 1 0.40243935 0.99749114 0.75340523 1.0 Si Si4 1 0.40243935 0.40494820 0.24659477 1.0 Si Si5 1 0.00250886 0.59756065 0.24659477 1.0 Si Si6 1 0.00250886 0.40494820 0.75340523 1.0 Si Si7 1 0.59505180 0.59756065 0.75340523 1.0 Si Si8 1 0.59505180 0.99749114 0.24659477 1.0 Tc Tc9 1 0.00052463 0.75996682 0.74669927 1.0 Tc Tc10 1 0.00052463 0.24055781 0.25330073 1.0 Tc Tc11 1 0.75944219 0.75996682 0.25330073 1.0 Tc Tc12 1 0.75944219 0.99947537 0.74669927 1.0 Tc Tc13 1 0.24003318 0.24055781 0.74669927 1.0 Tc Tc14 1 0.24003318 0.99947537 0.25330073 1.0 Ni Ni15 1 0.33333300 0.66666700 0.50000000 1.0