# generated using pymatgen data_Zr9FeMo4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.82796616 _cell_length_b 8.82796616 _cell_length_c 8.42719200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000117 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr9FeMo4 _chemical_formula_sum 'Zr18 Fe2 Mo8' _cell_volume 568.76758121 _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 0.20137700 0.79862300 0.44261800 1.0 Zr Zr1 1 0.20137700 0.40275400 0.44261800 1.0 Zr Zr2 1 0.59724600 0.79862300 0.44261800 1.0 Zr Zr3 1 0.79862300 0.20137700 0.55738200 1.0 Zr Zr4 1 0.79862300 0.59724600 0.55738200 1.0 Zr Zr5 1 0.40275400 0.20137700 0.55738200 1.0 Zr Zr6 1 0.79862300 0.20137700 0.94261800 1.0 Zr Zr7 1 0.79862300 0.59724600 0.94261800 1.0 Zr Zr8 1 0.40275400 0.20137700 0.94261800 1.0 Zr Zr9 1 0.20137700 0.79862300 0.05738200 1.0 Zr Zr10 1 0.20137700 0.40275400 0.05738200 1.0 Zr Zr11 1 0.59724600 0.79862300 0.05738200 1.0 Zr Zr12 1 0.53986300 0.46013700 0.25000000 1.0 Zr Zr13 1 0.53986300 0.07972600 0.25000000 1.0 Zr Zr14 1 0.92027400 0.46013700 0.25000000 1.0 Zr Zr15 1 0.46013700 0.53986300 0.75000000 1.0 Zr Zr16 1 0.46013700 0.92027400 0.75000000 1.0 Zr Zr17 1 0.07972600 0.53986300 0.75000000 1.0 Fe Fe18 1 0.33333300 0.66666700 0.25000000 1.0 Fe Fe19 1 0.66666700 0.33333300 0.75000000 1.0 Mo Mo20 1 0.88952200 0.11047800 0.25000000 1.0 Mo Mo21 1 0.88952200 0.77904400 0.25000000 1.0 Mo Mo22 1 0.22095600 0.11047800 0.25000000 1.0 Mo Mo23 1 0.11047800 0.88952200 0.75000000 1.0 Mo Mo24 1 0.11047800 0.22095600 0.75000000 1.0 Mo Mo25 1 0.77904400 0.88952200 0.75000000 1.0 Mo Mo26 1 0.00000000 0.00000000 0.50000000 1.0 Mo Mo27 1 0.00000000 0.00000000 0.00000000 1.0