data_[Mo2W2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3217]
_cell_length_b [5.4539]
_cell_length_c [5.3817]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2556]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MoWO6]
_chemical_formula_sum '[Mo2 W2 O12]'
_cell_volume [223.4197]
_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
[
  Mo  Mo0  2  0.0000  0.0000  0.5000  1.0
  W  W1  2  0.0000  0.5000  0.0000  1.0
  O  O2  8  0.0299  0.2495  0.7794  1.0
  O  O3  4  0.2494  0.0000  0.6900  1.0
]