# generated using pymatgen data_Zr3TiCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15432343 _cell_length_b 3.15432343 _cell_length_c 11.01132664 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3TiCu2 _chemical_formula_sum 'Zr3 Ti1 Cu2' _cell_volume 109.56001662 _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 -0.00000000 -0.00000000 0.65145096 1.0 Zr Zr1 1 -0.00000000 0.00000000 0.32936676 1.0 Zr Zr2 1 0.50000000 0.50000000 0.85221180 1.0 Ti Ti3 1 0.50000000 0.50000000 0.15158348 1.0 Cu Cu4 1 -0.00000000 -0.00000000 0.02410903 1.0 Cu Cu5 1 0.50000000 0.50000000 0.49127697 1.0