# generated using pymatgen data_Zr4Al3Tc5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22538459 _cell_length_b 5.22538385 _cell_length_c 8.65180657 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.36589417 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4Al3Tc5 _chemical_formula_sum 'Zr4 Al3 Tc5' _cell_volume 203.82657848 _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 0.33680644 0.66319356 0.43245823 1.0 Zr Zr1 1 0.66714239 0.33285761 0.93670620 1.0 Zr Zr2 1 0.66714239 0.33285761 0.56329380 1.0 Zr Zr3 1 0.33680644 0.66319356 0.06754177 1.0 Al Al4 1 0.99777702 0.00222298 0.99759643 1.0 Al Al5 1 0.99777702 0.00222298 0.50240357 1.0 Al Al6 1 0.16960844 0.83039156 0.75000000 1.0 Tc Tc7 1 0.17520401 0.34173957 0.75000000 1.0 Tc Tc8 1 0.82490364 0.17509636 0.25000000 1.0 Tc Tc9 1 0.33610341 0.16753163 0.25000000 1.0 Tc Tc10 1 0.65826043 0.82479599 0.75000000 1.0 Tc Tc11 1 0.83246837 0.66389659 0.25000000 1.0