# generated using pymatgen data_Lu3Al3Si2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.74234513 _cell_length_b 6.74234651 _cell_length_c 4.17738089 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000289 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu3Al3Si2Ru _chemical_formula_sum 'Lu3 Al3 Si2 Ru1' _cell_volume 164.45865805 _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 0.42159324 1.00000000 0.00000000 1.0 Lu Lu1 1 0.00000000 0.42159224 0.00000000 1.0 Lu Lu2 1 0.57840576 0.57840576 0.00000000 1.0 Al Al3 1 0.76741288 0.00000000 0.50000100 1.0 Al Al4 1 0.23258612 0.23258712 0.50000100 1.0 Al Al5 1 1.00000000 0.76741188 0.50000100 1.0 Si Si6 1 0.66666700 0.33333400 0.50000100 1.0 Si Si7 1 0.33333300 0.66666600 0.50000100 1.0 Ru Ru8 1 0.00000000 0.00000000 0.00000000 1.0