# generated using pymatgen data_Zr6Ti6CuSn9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.47360672 _cell_length_b 9.47360592 _cell_length_c 5.77990737 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000280 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Ti6CuSn9 _chemical_formula_sum 'Zr6 Ti6 Cu1 Sn9' _cell_volume 449.24387501 _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 Zr Zr0 1 0.84966109 0.69932319 0.74179760 1.0 Zr Zr1 1 0.15033891 0.84966109 0.25820240 1.0 Zr Zr2 1 0.69932319 0.84966109 0.25820240 1.0 Zr Zr3 1 0.30067681 0.15033891 0.74179760 1.0 Zr Zr4 1 0.84966109 0.15033891 0.74179760 1.0 Zr Zr5 1 0.15033891 0.30067681 0.25820240 1.0 Ti Ti6 1 0.50000000 0.00000000 0.50000000 1.0 Ti Ti7 1 0.50000000 0.50000000 0.00000000 1.0 Ti Ti8 1 0.00000000 0.50000000 0.00000000 1.0 Ti Ti9 1 0.00000000 0.50000000 0.50000000 1.0 Ti Ti10 1 0.50000000 0.00000000 0.00000000 1.0 Ti Ti11 1 0.50000000 0.50000000 0.50000000 1.0 Cu Cu12 1 0.00000000 0.00000000 0.50000000 1.0 Sn Sn13 1 0.20758462 0.41516924 0.75439887 1.0 Sn Sn14 1 0.79241538 0.20758462 0.24560113 1.0 Sn Sn15 1 0.41516924 0.20758462 0.24560113 1.0 Sn Sn16 1 0.58483076 0.79241538 0.75439887 1.0 Sn Sn17 1 0.20758462 0.79241538 0.75439887 1.0 Sn Sn18 1 0.79241538 0.58483076 0.24560113 1.0 Sn Sn19 1 0.66666700 0.33333300 0.74672341 1.0 Sn Sn20 1 0.33333300 0.66666700 0.25327659 1.0 Sn Sn21 1 0.00000000 0.00000000 0.00000000 1.0