# generated using pymatgen data_Zr4Al3TcO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.03786075 _cell_length_b 8.03786223 _cell_length_c 5.42957570 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999795 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4Al3TcO _chemical_formula_sum 'Zr8 Al6 Tc2 O2' _cell_volume 303.79286463 _cell_formula_units_Z 2 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 0.23372351 1.00000000 0.25157759 1.0 Zr Zr1 1 0.00000000 0.23372351 0.25157759 1.0 Zr Zr2 1 0.76627649 0.76627649 0.25157759 1.0 Zr Zr3 1 0.66666700 0.33333300 0.50000000 1.0 Zr Zr4 1 0.33333300 0.66666700 0.50000000 1.0 Zr Zr5 1 0.76627649 0.00000000 0.74842241 1.0 Zr Zr6 1 1.00000000 0.76627649 0.74842241 1.0 Zr Zr7 1 0.23372351 0.23372351 0.74842241 1.0 Al Al8 1 0.58666555 0.00000000 0.21842640 1.0 Al Al9 1 1.00000000 0.58666555 0.21842640 1.0 Al Al10 1 0.41333445 0.41333445 0.21842640 1.0 Al Al11 1 0.41333445 1.00000000 0.78157360 1.0 Al Al12 1 0.00000000 0.41333445 0.78157360 1.0 Al Al13 1 0.58666555 0.58666555 0.78157360 1.0 Tc Tc14 1 0.66666700 0.33333300 0.00000000 1.0 Tc Tc15 1 0.33333300 0.66666700 0.00000000 1.0 O O16 1 0.00000000 0.00000000 0.00000000 1.0 O O17 1 0.00000000 0.00000000 0.50000000 1.0