# generated using pymatgen data_Zr3NbAl12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98149400 _cell_length_b 3.98149400 _cell_length_c 17.19284700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3NbAl12 _chemical_formula_sum 'Zr3 Nb1 Al12' _cell_volume 272.54607346 _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 0.88109100 1.0 Zr Zr1 1 0.00000000 0.00000000 0.12310000 1.0 Zr Zr2 1 0.50000000 0.50000000 0.61648000 1.0 Nb Nb3 1 0.50000000 0.50000000 0.38139500 1.0 Al Al4 1 0.50000000 0.00000000 0.00122700 1.0 Al Al5 1 0.00000000 0.50000000 0.49661900 1.0 Al Al6 1 0.00000000 0.50000000 0.00122700 1.0 Al Al7 1 0.50000000 0.00000000 0.49661900 1.0 Al Al8 1 0.50000000 0.50000000 0.12423300 1.0 Al Al9 1 0.00000000 0.00000000 0.62368500 1.0 Al Al10 1 0.00000000 0.00000000 0.37397100 1.0 Al Al11 1 0.50000000 0.50000000 0.87468200 1.0 Al Al12 1 0.00000000 0.50000000 0.25379100 1.0 Al Al13 1 0.50000000 0.00000000 0.74904500 1.0 Al Al14 1 0.50000000 0.00000000 0.25379100 1.0 Al Al15 1 0.00000000 0.50000000 0.74904500 1.0