# generated using pymatgen data_Ti6CuSi6Tc5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.47462981 _cell_length_b 7.47996473 _cell_length_c 7.47468524 _cell_angle_alpha 126.43904593 _cell_angle_beta 128.67336406 _cell_angle_gamma 77.34817282 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti6CuSi6Tc5 _chemical_formula_sum 'Ti6 Cu1 Si6 Tc5' _cell_volume 254.66505656 _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 Ti Ti0 1 0.24904390 0.89871581 0.15205511 1.0 Ti Ti1 1 0.95139840 0.49346762 0.04233119 1.0 Ti Ti2 1 0.04885609 0.09907259 0.54489534 1.0 Ti Ti3 1 0.45093067 0.49328357 0.54208447 1.0 Ti Ti4 1 0.74670982 0.89835071 0.64921047 1.0 Ti Ti5 1 0.55439338 0.09977029 0.05034470 1.0 Cu Cu6 1 0.13447779 0.76446620 0.63224526 1.0 Si Si7 1 0.75774983 0.50388198 0.25428603 1.0 Si Si8 1 0.16612996 0.16141168 0.99507046 1.0 Si Si9 1 0.66514222 0.15875755 0.49333941 1.0 Si Si10 1 0.33289229 0.82871905 0.49604182 1.0 Si Si11 1 0.24922456 0.50327111 0.74600974 1.0 Si Si12 1 0.83048320 0.82751800 0.99666197 1.0 Tc Tc13 1 0.49894686 0.23552803 0.73638804 1.0 Tc Tc14 1 0.99867779 0.23312922 0.23437115 1.0 Tc Tc15 1 0.86818162 0.49475438 0.62623651 1.0 Tc Tc16 1 0.62805610 0.75509133 0.12637102 1.0 Tc Tc17 1 0.36870753 0.49301988 0.12426632 1.0