# generated using pymatgen data_Zr9Mo4O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.72819646 _cell_length_b 8.72819646 _cell_length_c 8.55180300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000351 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr9Mo4O3 _chemical_formula_sum 'Zr18 Mo8 O6' _cell_volume 564.20551979 _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 0.45355000 0.90710100 0.25000000 1.0 Zr Zr1 1 0.54645000 0.09289900 0.75000000 1.0 Zr Zr2 1 0.09289900 0.54645000 0.25000000 1.0 Zr Zr3 1 0.90710100 0.45355000 0.75000000 1.0 Zr Zr4 1 0.45355000 0.54645000 0.25000000 1.0 Zr Zr5 1 0.54645000 0.45355000 0.75000000 1.0 Zr Zr6 1 0.20613500 0.41227000 0.56375300 1.0 Zr Zr7 1 0.79386500 0.58773000 0.43624700 1.0 Zr Zr8 1 0.58773000 0.79386500 0.56375300 1.0 Zr Zr9 1 0.79386500 0.58773000 0.06375300 1.0 Zr Zr10 1 0.41227000 0.20613500 0.43624700 1.0 Zr Zr11 1 0.20613500 0.41227000 0.93624700 1.0 Zr Zr12 1 0.20613500 0.79386500 0.56375300 1.0 Zr Zr13 1 0.41227000 0.20613500 0.06375300 1.0 Zr Zr14 1 0.79386500 0.20613500 0.43624700 1.0 Zr Zr15 1 0.58773000 0.79386500 0.93624700 1.0 Zr Zr16 1 0.79386500 0.20613500 0.06375300 1.0 Zr Zr17 1 0.20613500 0.79386500 0.93624700 1.0 Mo Mo18 1 0.10836700 0.21673300 0.25000000 1.0 Mo Mo19 1 0.89163300 0.78326700 0.75000000 1.0 Mo Mo20 1 0.78326700 0.89163300 0.25000000 1.0 Mo Mo21 1 0.21673300 0.10836700 0.75000000 1.0 Mo Mo22 1 0.10836700 0.89163300 0.25000000 1.0 Mo Mo23 1 0.89163300 0.10836700 0.75000000 1.0 Mo Mo24 1 0.00000000 0.00000000 0.00000000 1.0 Mo Mo25 1 0.00000000 0.00000000 0.50000000 1.0 O O26 1 0.50000000 0.00000000 0.00000000 1.0 O O27 1 0.00000000 0.50000000 0.00000000 1.0 O O28 1 0.50000000 0.00000000 0.50000000 1.0 O O29 1 0.50000000 0.50000000 0.00000000 1.0 O O30 1 0.00000000 0.50000000 0.50000000 1.0 O O31 1 0.50000000 0.50000000 0.50000000 1.0