# generated using pymatgen data_Ti5Cu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82823700 _cell_length_b 12.12358400 _cell_length_c 13.17845800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti5Cu2 _chemical_formula_sum 'Ti20 Cu8' _cell_volume 451.86782867 _cell_formula_units_Z 4 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 0.50000000 0.66329900 0.00281600 1.0 Ti Ti1 1 0.50000000 0.33670100 0.99718400 1.0 Ti Ti2 1 0.50000000 0.16329900 0.49718400 1.0 Ti Ti3 1 0.50000000 0.83670100 0.50281600 1.0 Ti Ti4 1 0.50000000 0.56783900 0.66318800 1.0 Ti Ti5 1 0.50000000 0.43216100 0.33681200 1.0 Ti Ti6 1 0.50000000 0.06783900 0.83681200 1.0 Ti Ti7 1 0.50000000 0.93216100 0.16318800 1.0 Ti Ti8 1 0.00000000 0.99434700 0.62128100 1.0 Ti Ti9 1 0.00000000 0.00565300 0.37871900 1.0 Ti Ti10 1 0.00000000 0.49434700 0.87871900 1.0 Ti Ti11 1 0.00000000 0.50565300 0.12128100 1.0 Ti Ti12 1 0.00000000 0.70672900 0.83117200 1.0 Ti Ti13 1 0.00000000 0.29327100 0.16882800 1.0 Ti Ti14 1 0.00000000 0.20672900 0.66882800 1.0 Ti Ti15 1 0.00000000 0.79327100 0.33117200 1.0 Ti Ti16 1 0.00000000 0.89251600 0.96545000 1.0 Ti Ti17 1 0.00000000 0.10748400 0.03455000 1.0 Ti Ti18 1 0.00000000 0.39251600 0.53455000 1.0 Ti Ti19 1 0.00000000 0.60748400 0.46545000 1.0 Cu Cu20 1 0.00000000 0.75041700 0.64306000 1.0 Cu Cu21 1 0.00000000 0.24958300 0.35694000 1.0 Cu Cu22 1 0.00000000 0.25041700 0.85694000 1.0 Cu Cu23 1 0.00000000 0.74958300 0.14306000 1.0 Cu Cu24 1 0.50000000 0.87616400 0.75993500 1.0 Cu Cu25 1 0.50000000 0.12383600 0.24006500 1.0 Cu Cu26 1 0.50000000 0.37616400 0.74006500 1.0 Cu Cu27 1 0.50000000 0.62383600 0.25993500 1.0